2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine

C36H36ClF7N14 — CID 158090414

IUPAC2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine
SMILESCC(C)(C)Nc1nc(N)nc(-c2nc(F)ccc2F)n1.CC(C)(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2nc(F)ccc2F)n1.Cc1cc(Cl)ccn1
InChIInChI=1S/C18H16F5N7.C12H14F2N6.C6H6ClN/c1-17(2,3)30-16-28-14(13-10(19)4-5-12(20)26-13)27-15(29-16)25-9-6-7-24-11(8-9)18(21,22)23;1-12(2,3)20-11-18-9(17-10(15)19-11)8-6(13)4-5-7(14)16-8;1-5-4-6(7)2-3-8-5/h4-8H,1-3H3,(H2,24,25,27,28,29,30);4-5H,1-3H3,(H3,15,17,18,19,20);2-4H,1H3
InChIKeyFOAMVVDUBIFHBF-UHFFFAOYSA-N
MW833.22 g/mol
LogP8.63
Rot. Bonds6

About 2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine

2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine (PubChem CID 158090414) has the molecular formula C36H36ClF7N14 and a molecular weight of 833.22 g/mol. Its IUPAC name is 2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine.

Molecular Properties

Compound Name2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine
PubChem CID158090414
Molecular FormulaC36H36ClF7N14
Molecular Weight833.22 g/mol
Exact Mass832.28
IUPAC Name2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine
SMILESCC(C)(C)Nc1nc(N)nc(-c2nc(F)ccc2F)n1.CC(C)(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2nc(F)ccc2F)n1.Cc1cc(Cl)ccn1
InChIInChI=1S/C18H16F5N7.C12H14F2N6.C6H6ClN/c1-17(2,3)30-16-28-14(13-10(19)4-5-12(20)26-13)27-15(29-16)25-9-6-7-24-11(8-9)18(21,22)23;1-12(2,3)20-11-18-9(17-10(15)19-11)8-6(13)4-5-7(14)16-8;1-5-4-6(7)2-3-8-5/h4-8H,1-3H3,(H2,24,25,27,28,29,30);4-5H,1-3H3,(H3,15,17,18,19,20);2-4H,1H3
InChIKeyFOAMVVDUBIFHBF-UHFFFAOYSA-N
XLogP8.63
TPSA191.01 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds6
Heavy Atoms58
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500833.22
LogP ≤ 58.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine with MolForge

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Related Compounds

N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[6-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725962
N-[5-Chloro-6-Methyl-2-(Pyridin-2-Yl)pyrimidin-4-Yl]-N'-[5-(Trifluoromethyl)pyridin-2-Yl]ethane-1,2-Diamine
CID 2725966
N-[5-Chloro-6-Methyl-2-(2-Pyridinyl)-4-Pyrimidinyl]-N'-[4-(Trifluoromethyl)-2-Pyridinyl]-1,2-Ethanediamine
CID 2725964
5-chloro-N-[1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 2796249
N-(4-chloro-5-(trifluoromethyl)pyrimidin-2-yl)-7-(3-(trifluoromethyl)pyridin-2-yl)-1,8-naphthyridin-4-amine
CID 49863799
4-N-[1,1,2,3,3,3-hexadeuterio-2-(trideuteriomethyl)propyl]-2-N-[2-(trifluoromethyl)-4-pyridinyl]-6-[6-(trifluoromethyl)-2-pyridinyl]-1,3,5-triazine-2,4-diamine
CID 155523622
N-[6-chloro-5-(trifluoromethyl)pyridin-2-yl]-2-piperidin-1-yl-7-[3-(trifluoromethyl)pyridin-2-yl]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-amine
CID 58972782
4-N-[2-(1,1-difluoroethyl)pyridin-4-yl]-2-N-propan-2-yl-6-[4-(trifluoromethyl)pyrimidin-2-yl]-1,3,5-triazine-2,4-diamine
CID 117798710
6-(6-chloropyridin-2-yl)-2-N-(3,3-difluorocyclopentyl)-4-N-[2-(trifluoromethyl)pyridin-4-yl]-1,3,5-triazine-2,4-diamine
CID 117798735
6-(6-chloropyridin-2-yl)-4-N-(cyclopropylmethyl)-2-N-[2-(trifluoromethyl)pyridin-4-yl]-1,3,5-triazine-2,4-diamine
CID 117798795
2-[[4-[[2-(1,1-Difluoroethyl)pyridin-4-yl]amino]-6-[6-(trifluoromethyl)pyridin-2-yl]-1,3,5-triazin-2-yl]amino]-2-methylpropanenitrile
CID 117799111
4-N-[2-(4-chlorophenyl)pyridin-4-yl]-6-[6-(trifluoromethyl)pyridin-2-yl]-2-N-[(2R)-1,1,1-trifluoropropan-2-yl]-1,3,5-triazine-2,4-diamine
CID 117799131

Frequently Asked Questions

What is the IUPAC name of 2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine?
The IUPAC name of 2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine (CID 158090414) is 2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine.
What is the SMILES notation for 2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine?
The canonical SMILES for 2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine is CC(C)(C)Nc1nc(N)nc(-c2nc(F)ccc2F)n1.CC(C)(C)Nc1nc(Nc2ccnc(C(F)(F)F)c2)nc(-c2nc(F)ccc2F)n1.Cc1cc(Cl)ccn1.
What is the InChIKey of 2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine?
The InChIKey is FOAMVVDUBIFHBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F5N7.C12H14F2N6.C6H6ClN/c1-17(2,3)30-16-28-14(13-10(19)4-5-12(20)26-13)27-15(29-16)25-9-6-7-24-11(8-9)18(21,22)23;1-12(2,3)20-11-18-9(17-10(15)19-11)8-6(13)4-5-7(14)16-8;1-5-4-6(7)2-3-8-5/h4-8H,1-3H3,(H2,24,25,27,28,29,30);4-5H,1-3H3,(H3,15,17,18,19,20);2-4H,1H3.
What are the key properties of 2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine?
2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine has a molecular weight of 833.22 g/mol, XLogP of 8.63, 6 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-1,3,5-triazine-2,4-diamine;2-N-tert-butyl-6-(3,6-difluoro-2-pyridinyl)-4-N-[2-(trifluoromethyl)-4-pyridinyl]-1,3,5-triazine-2,4-diamine;4-chloro-2-methylpyridine is sourced from PubChem (CID 158090414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).