4-(4-chloro-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

C13H16ClN7OS — CID 5300197

IUPAC4-(4-chloro-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(Sc2nc(C)cc(Cl)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H16ClN7OS/c1-8-7-9(14)17-12(16-8)23-13-19-10(15-2)18-11(20-13)21-3-5-22-6-4-21/h7H,3-6H2,1-2H3,(H,15,18,19,20)
InChIKeyBCPBTLDLIZFJRD-UHFFFAOYSA-N
MW353.84 g/mol
LogP1.65
Rot. Bonds4

About 4-(4-chloro-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine

4-(4-chloro-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 5300197) has the molecular formula C13H16ClN7OS and a molecular weight of 353.84 g/mol. Its IUPAC name is 4-(4-chloro-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(4-chloro-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID5300197
Molecular FormulaC13H16ClN7OS
Molecular Weight353.84 g/mol
Exact Mass353.08
IUPAC Name4-(4-chloro-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCNc1nc(Sc2nc(C)cc(Cl)n2)nc(N2CCOCC2)n1
InChIInChI=1S/C13H16ClN7OS/c1-8-7-9(14)17-12(16-8)23-13-19-10(15-2)18-11(20-13)21-3-5-22-6-4-21/h7H,3-6H2,1-2H3,(H,15,18,19,20)
InChIKeyBCPBTLDLIZFJRD-UHFFFAOYSA-N
XLogP1.65
TPSA88.95 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.84
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(4-chloro-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 5300197) is 4-(4-chloro-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(4-chloro-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(4-chloro-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is CNc1nc(Sc2nc(C)cc(Cl)n2)nc(N2CCOCC2)n1.
What is the InChIKey of 4-(4-chloro-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is BCPBTLDLIZFJRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN7OS/c1-8-7-9(14)17-12(16-8)23-13-19-10(15-2)18-11(20-13)21-3-5-22-6-4-21/h7H,3-6H2,1-2H3,(H,15,18,19,20).
What are the key properties of 4-(4-chloro-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-(4-chloro-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 353.84 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-6-methylpyrimidin-2-yl)sulfanyl-N-methyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 5300197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).