6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine

C61H97F15N20 — CID 160725696

IUPAC6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine
SMILESCC(C)[C@@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)(C)C.CC(C)[C@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)(C)C.CC[C@@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)(C)C.CC[C@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)(C)C.C[C@H](Nc1cnc(C(F)(F)F)c(N)n1)C(C)(C)C
InChIInChI=1S/2C13H21F3N4.2C12H19F3N4.C11H17F3N4/c2*1-7(2)9(12(3,4)5)19-11-18-6-8(10(17)20-11)13(14,15)16;2*1-5-8(11(2,3)4)18-10-17-6-7(9(16)19-10)12(13,14)15;1-6(10(2,3)4)17-7-5-16-8(9(15)18-7)11(12,13)14/h2*6-7,9H,1-5H3,(H3,17,18,19,20);2*6,8H,5H2,1-4H3,(H3,16,17,18,19);5-6H,1-4H3,(H3,15,17,18)/t2*9-;2*8-;6-/m10100/s1
InChIKeyRTRITECTLAXLNC-FQLXMJIKSA-N
MW1395.56 g/mol
LogP16.67
Rot. Bonds14

About 6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine

6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine (PubChem CID 160725696) has the molecular formula C61H97F15N20 and a molecular weight of 1395.56 g/mol. Its IUPAC name is 6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine
PubChem CID160725696
Molecular FormulaC61H97F15N20
Molecular Weight1395.56 g/mol
Exact Mass1394.80
IUPAC Name6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine
SMILESCC(C)[C@@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)(C)C.CC(C)[C@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)(C)C.CC[C@@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)(C)C.CC[C@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)(C)C.C[C@H](Nc1cnc(C(F)(F)F)c(N)n1)C(C)(C)C
InChIInChI=1S/2C13H21F3N4.2C12H19F3N4.C11H17F3N4/c2*1-7(2)9(12(3,4)5)19-11-18-6-8(10(17)20-11)13(14,15)16;2*1-5-8(11(2,3)4)18-10-17-6-7(9(16)19-10)12(13,14)15;1-6(10(2,3)4)17-7-5-16-8(9(15)18-7)11(12,13)14/h2*6-7,9H,1-5H3,(H3,17,18,19,20);2*6,8H,5H2,1-4H3,(H3,16,17,18,19);5-6H,1-4H3,(H3,15,17,18)/t2*9-;2*8-;6-/m10100/s1
InChIKeyRTRITECTLAXLNC-FQLXMJIKSA-N
XLogP16.67
TPSA319.15 Ų
H-Bond Donors10
H-Bond Acceptors20
Rotatable Bonds14
Heavy Atoms96
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001395.56
LogP ≤ 516.67
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1020

Analyze 6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine?
The IUPAC name of 6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine (CID 160725696) is 6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine is CC(C)[C@@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)(C)C.CC(C)[C@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)(C)C.CC[C@@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)(C)C.CC[C@H](Nc1ncc(C(F)(F)F)c(N)n1)C(C)(C)C.C[C@H](Nc1cnc(C(F)(F)F)c(N)n1)C(C)(C)C.
What is the InChIKey of 6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine?
The InChIKey is RTRITECTLAXLNC-FQLXMJIKSA-N. The full InChI is InChI=1S/2C13H21F3N4.2C12H19F3N4.C11H17F3N4/c2*1-7(2)9(12(3,4)5)19-11-18-6-8(10(17)20-11)13(14,15)16;2*1-5-8(11(2,3)4)18-10-17-6-7(9(16)19-10)12(13,14)15;1-6(10(2,3)4)17-7-5-16-8(9(15)18-7)11(12,13)14/h2*6-7,9H,1-5H3,(H3,17,18,19,20);2*6,8H,5H2,1-4H3,(H3,16,17,18,19);5-6H,1-4H3,(H3,15,17,18)/t2*9-;2*8-;6-/m10100/s1.
What are the key properties of 6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine?
6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine has a molecular weight of 1395.56 g/mol, XLogP of 16.67, 14 rotatable bonds, 10 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[(2S)-3,3-dimethylbutan-2-yl]-3-(trifluoromethyl)pyrazine-2,6-diamine;2-N-[(3S)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;2-N-[(3R)-2,2-dimethylpentan-3-yl]-5-(trifluoromethyl)pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3S)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine;5-(trifluoromethyl)-2-N-[(3R)-2,2,4-trimethylpentan-3-yl]pyrimidine-2,4-diamine is sourced from PubChem (CID 160725696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).