2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

C91H96F34N34 — CID 161164293

IUPAC2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(F)(F)c1cncc(-c2nc(NC3CC(F)(F)C3)nc(NC3CC(F)(F)C3)n2)n1.CC(F)(F)c1cncc(-c2nc(NC3CCC(F)(F)C3)nc(NC3CCC(F)(F)C3)n2)n1.CC(F)(F)c1cncc(-c2nc(NC3CCC(F)(F)CC3)nc(NC3CCC(F)(F)CC3)n2)n1.C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cncc(C(F)(F)F)n2)n1)C(F)(F)F.FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1
InChIInChI=1S/C21H25F6N7.C20H21F7N6.C19H21F6N7.C17H17F6N7.C14H12F9N7/c1-19(22,23)15-11-28-10-14(31-15)16-32-17(29-12-2-6-20(24,25)7-3-12)34-18(33-16)30-13-4-8-21(26,27)9-5-13;21-18(22)7-4-11(5-8-18)28-16-31-15(13-2-1-3-14(30-13)20(25,26)27)32-17(33-16)29-12-6-9-19(23,24)10-12;1-17(20,21)13-9-26-8-12(29-13)14-30-15(27-10-2-4-18(22,23)6-10)32-16(31-14)28-11-3-5-19(24,25)7-11;1-15(18,19)11-7-24-6-10(27-11)12-28-13(25-8-2-16(20,21)3-8)30-14(29-12)26-9-4-17(22,23)5-9;1-5(12(15,16)17)25-10-28-9(7-3-24-4-8(27-7)14(21,22)23)29-11(30-10)26-6(2)13(18,19)20/h10-13H,2-9H2,1H3,(H2,29,30,32,33,34);1-3,11-12H,4-10H2,(H2,28,29,31,32,33);8-11H,2-7H2,1H3,(H2,27,28,30,31,32);6-9H,2-5H2,1H3,(H2,25,26,28,29,30);3-6H,1-2H3,(H2,25,26,28,29,30)/t;;;;5-,6-/m....1/s1
InChIKeyUQHZSJGYFXTCIE-VKRUTOTLSA-N
MW2311.94 g/mol
LogP23.53
Rot. Bonds28

About 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine

2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine (PubChem CID 161164293) has the molecular formula C91H96F34N34 and a molecular weight of 2311.94 g/mol. Its IUPAC name is 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
PubChem CID161164293
Molecular FormulaC91H96F34N34
Molecular Weight2311.94 g/mol
Exact Mass2310.80
IUPAC Name2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
SMILESCC(F)(F)c1cncc(-c2nc(NC3CC(F)(F)C3)nc(NC3CC(F)(F)C3)n2)n1.CC(F)(F)c1cncc(-c2nc(NC3CCC(F)(F)C3)nc(NC3CCC(F)(F)C3)n2)n1.CC(F)(F)c1cncc(-c2nc(NC3CCC(F)(F)CC3)nc(NC3CCC(F)(F)CC3)n2)n1.C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cncc(C(F)(F)F)n2)n1)C(F)(F)F.FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1
InChIInChI=1S/C21H25F6N7.C20H21F7N6.C19H21F6N7.C17H17F6N7.C14H12F9N7/c1-19(22,23)15-11-28-10-14(31-15)16-32-17(29-12-2-6-20(24,25)7-3-12)34-18(33-16)30-13-4-8-21(26,27)9-5-13;21-18(22)7-4-11(5-8-18)28-16-31-15(13-2-1-3-14(30-13)20(25,26)27)32-17(33-16)29-12-6-9-19(23,24)10-12;1-17(20,21)13-9-26-8-12(29-13)14-30-15(27-10-2-4-18(22,23)6-10)32-16(31-14)28-11-3-5-19(24,25)7-11;1-15(18,19)11-7-24-6-10(27-11)12-28-13(25-8-2-16(20,21)3-8)30-14(29-12)26-9-4-17(22,23)5-9;1-5(12(15,16)17)25-10-28-9(7-3-24-4-8(27-7)14(21,22)23)29-11(30-10)26-6(2)13(18,19)20/h10-13H,2-9H2,1H3,(H2,29,30,32,33,34);1-3,11-12H,4-10H2,(H2,28,29,31,32,33);8-11H,2-7H2,1H3,(H2,27,28,30,31,32);6-9H,2-5H2,1H3,(H2,25,26,28,29,30);3-6H,1-2H3,(H2,25,26,28,29,30)/t;;;;5-,6-/m....1/s1
InChIKeyUQHZSJGYFXTCIE-VKRUTOTLSA-N
XLogP23.53
TPSA429.66 Ų
H-Bond Donors10
H-Bond Acceptors34
Rotatable Bonds28
Heavy Atoms159
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002311.94
LogP ≤ 523.53
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1034

Analyze 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine (CID 161164293) is 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine is CC(F)(F)c1cncc(-c2nc(NC3CC(F)(F)C3)nc(NC3CC(F)(F)C3)n2)n1.CC(F)(F)c1cncc(-c2nc(NC3CCC(F)(F)C3)nc(NC3CCC(F)(F)C3)n2)n1.CC(F)(F)c1cncc(-c2nc(NC3CCC(F)(F)CC3)nc(NC3CCC(F)(F)CC3)n2)n1.C[C@@H](Nc1nc(N[C@H](C)C(F)(F)F)nc(-c2cncc(C(F)(F)F)n2)n1)C(F)(F)F.FC1(F)CCC(Nc2nc(NC3CCC(F)(F)C3)nc(-c3cccc(C(F)(F)F)n3)n2)CC1.
What is the InChIKey of 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
The InChIKey is UQHZSJGYFXTCIE-VKRUTOTLSA-N. The full InChI is InChI=1S/C21H25F6N7.C20H21F7N6.C19H21F6N7.C17H17F6N7.C14H12F9N7/c1-19(22,23)15-11-28-10-14(31-15)16-32-17(29-12-2-6-20(24,25)7-3-12)34-18(33-16)30-13-4-8-21(26,27)9-5-13;21-18(22)7-4-11(5-8-18)28-16-31-15(13-2-1-3-14(30-13)20(25,26)27)32-17(33-16)29-12-6-9-19(23,24)10-12;1-17(20,21)13-9-26-8-12(29-13)14-30-15(27-10-2-4-18(22,23)6-10)32-16(31-14)28-11-3-5-19(24,25)7-11;1-15(18,19)11-7-24-6-10(27-11)12-28-13(25-8-2-16(20,21)3-8)30-14(29-12)26-9-4-17(22,23)5-9;1-5(12(15,16)17)25-10-28-9(7-3-24-4-8(27-7)14(21,22)23)29-11(30-10)26-6(2)13(18,19)20/h10-13H,2-9H2,1H3,(H2,29,30,32,33,34);1-3,11-12H,4-10H2,(H2,28,29,31,32,33);8-11H,2-7H2,1H3,(H2,27,28,30,31,32);6-9H,2-5H2,1H3,(H2,25,26,28,29,30);3-6H,1-2H3,(H2,25,26,28,29,30)/t;;;;5-,6-/m....1/s1.
What are the key properties of 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine?
2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine has a molecular weight of 2311.94 g/mol, XLogP of 23.53, 28 rotatable bonds, 10 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,4-N-bis(3,3-difluorocyclobutyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(4,4-difluorocyclohexyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;2-N,4-N-bis(3,3-difluorocyclopentyl)-6-[6-(1,1-difluoroethyl)pyrazin-2-yl]-1,3,5-triazine-2,4-diamine;4-N-(4,4-difluorocyclohexyl)-2-N-(3,3-difluorocyclopentyl)-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine;6-[6-(trifluoromethyl)pyrazin-2-yl]-2-N,4-N-bis[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 161164293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).