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

C12H16ClN7S — CID 3157003

IUPAC6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Sc2nc(N(C)C)nc(N(C)C)n2)nc(Cl)n1
InChIInChI=1S/C12H16ClN7S/c1-7-6-8(15-9(13)14-7)21-12-17-10(19(2)3)16-11(18-12)20(4)5/h6H,1-5H3
InChIKeyWFNAFZWXZBLMLL-UHFFFAOYSA-N
MW325.83 g/mol
LogP1.91
Rot. Bonds4

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

6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine (PubChem CID 3157003) has the molecular formula C12H16ClN7S and a molecular weight of 325.83 g/mol. Its IUPAC name is 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine
PubChem CID3157003
Molecular FormulaC12H16ClN7S
Molecular Weight325.83 g/mol
Exact Mass325.09
IUPAC Name6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine
SMILESCc1cc(Sc2nc(N(C)C)nc(N(C)C)n2)nc(Cl)n1
InChIInChI=1S/C12H16ClN7S/c1-7-6-8(15-9(13)14-7)21-12-17-10(19(2)3)16-11(18-12)20(4)5/h6H,1-5H3
InChIKeyWFNAFZWXZBLMLL-UHFFFAOYSA-N
XLogP1.91
TPSA70.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.83
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine (CID 3157003) is 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine is Cc1cc(Sc2nc(N(C)C)nc(N(C)C)n2)nc(Cl)n1.
What is the InChIKey of 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine?
The InChIKey is WFNAFZWXZBLMLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN7S/c1-7-6-8(15-9(13)14-7)21-12-17-10(19(2)3)16-11(18-12)20(4)5/h6H,1-5H3.
What are the key properties of 6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine?
6-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-2-N,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine has a molecular weight of 325.83 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 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,2-N,4-N,4-N-tetramethyl-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 3157003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).