6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

C14H20ClN7S — CID 3157002

IUPAC6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Sc2nc(NC(C)C)nc(NC(C)C)n2)nc(Cl)n1
InChIInChI=1S/C14H20ClN7S/c1-7(2)16-12-20-13(17-8(3)4)22-14(21-12)23-10-6-9(5)18-11(15)19-10/h6-8H,1-5H3,(H2,16,17,20,21,22)
InChIKeyVEPGLIZYYQDXHB-UHFFFAOYSA-N
MW353.88 g/mol
LogP3.42
Rot. Bonds6

About 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine

6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (PubChem CID 3157002) has the molecular formula C14H20ClN7S and a molecular weight of 353.88 g/mol. Its IUPAC name is 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
PubChem CID3157002
Molecular FormulaC14H20ClN7S
Molecular Weight353.88 g/mol
Exact Mass353.12
IUPAC Name6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Sc2nc(NC(C)C)nc(NC(C)C)n2)nc(Cl)n1
InChIInChI=1S/C14H20ClN7S/c1-7(2)16-12-20-13(17-8(3)4)22-14(21-12)23-10-6-9(5)18-11(15)19-10/h6-8H,1-5H3,(H2,16,17,20,21,22)
InChIKeyVEPGLIZYYQDXHB-UHFFFAOYSA-N
XLogP3.42
TPSA88.51 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.88
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

N-[4-[(2-Chloro-6-methyl-4-pyrimidinyl)sulfanyl]-6-(dimethylamino)-1,3,5-triazin-2-YL]-N,N-dimethylamine
CID 3157003
4-chloro-6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-1,3,5-triazin-2-amine
CID 1087037
tert-Butyl-[4-(2-chloro-6-methyl-pyrimidin-4-ylsulfanyl)-6-morpholin-4-yl-[1,3,5]triazin-2-yl]-amine
CID 3157303
4,4'-Bis(2-amino-6-methylpyrimidyl) Disulfide
CID 330486
4-chloro-6-[(4,6-dimethylpyrimidin-2-yl)sulfanyl]-N-ethyl-1,3,5-triazin-2-amine
CID 936779
4-Pyrimidinamine, 2,2'-(1,4-butanediylbis(thio))bis(6-methyl-
CID 13285559
N-ethyl-5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80892128
5-fluoro-N-methyl-4-(4-methylpyrimidin-2-yl)sulfanylpyrimidin-2-amine
CID 80892497
5-fluoro-4-(4-methylpyrimidin-2-yl)sulfanyl-N-propylpyrimidin-2-amine
CID 80892724
1-Propan-2-yl-3-[4-pyrimidin-2-ylsulfanyl-6-(trifluoromethyl)pyrimidin-2-yl]thiourea
CID 100775555
6-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methyl-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775129
4-pentylsulfanyl-N-propyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 107765396

Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine (CID 3157002) is 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine is Cc1cc(Sc2nc(NC(C)C)nc(NC(C)C)n2)nc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
The InChIKey is VEPGLIZYYQDXHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20ClN7S/c1-7(2)16-12-20-13(17-8(3)4)22-14(21-12)23-10-6-9(5)18-11(15)19-10/h6-8H,1-5H3,(H2,16,17,20,21,22).
What are the key properties of 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine?
6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine has a molecular weight of 353.88 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3157002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).