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

C14H18ClN7OS — CID 3157004

IUPAC4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1cc(Sc2nc(N(C)C)nc(N3CCOCC3)n2)nc(Cl)n1
InChIInChI=1S/C14H18ClN7OS/c1-9-8-10(17-11(15)16-9)24-14-19-12(21(2)3)18-13(20-14)22-4-6-23-7-5-22/h8H,4-7H2,1-3H3
InChIKeyKGWQZIFXCKNWAU-UHFFFAOYSA-N
MW367.87 g/mol
LogP1.68
Rot. Bonds4

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

4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (PubChem CID 3157004) has the molecular formula C14H18ClN7OS and a molecular weight of 367.87 g/mol. Its IUPAC name is 4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
PubChem CID3157004
Molecular FormulaC14H18ClN7OS
Molecular Weight367.87 g/mol
Exact Mass367.10
IUPAC Name4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine
SMILESCc1cc(Sc2nc(N(C)C)nc(N3CCOCC3)n2)nc(Cl)n1
InChIInChI=1S/C14H18ClN7OS/c1-9-8-10(17-11(15)16-9)24-14-19-12(21(2)3)18-13(20-14)22-4-6-23-7-5-22/h8H,4-7H2,1-3H3
InChIKeyKGWQZIFXCKNWAU-UHFFFAOYSA-N
XLogP1.68
TPSA80.16 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.87
LogP ≤ 51.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[4-[(2-Chloro-6-methyl-4-pyrimidinyl)sulfanyl]-6-(dimethylamino)-1,3,5-triazin-2-YL]-N,N-dimethylamine
CID 3157003
tert-Butyl-[4-(2-chloro-6-methyl-pyrimidin-4-ylsulfanyl)-6-morpholin-4-yl-[1,3,5]triazin-2-yl]-amine
CID 3157303
Morpholine, 4,4'-(1,3-propanediylbis(thio(6-methyl-2,4-pyrimidinediyl)))bis-
CID 3078958
Morpholine, 4-(6-methyl-2-((1-methylethyl)thio)-4-pyrimidinyl)-
CID 3074005
Morpholine, 4,4'-(1,4-butanediylbis(thio(6-methyl-2,4-pyrimidinediyl)))bis-
CID 3078955
Morpholine, 4,4'-(1,5-pentanediylbis(thio(6-methyl-2,4-pyrimidinediyl)))bis-
CID 3078956
Morpholine, 4,4'-(1,6-hexanediylbis(thio(6-methyl-2,4-pyrimidinediyl)))bis-
CID 3078957
(R)-4-(2-chloro-6-(methylthiomethyl)pyrimidin-4-yl)-3-methylmorpholine
CID 86660210
5-({[6-methyl-2-(1-piperidinyl)-4-pyrimidinyl]sulfanyl}methyl)-3-(4-morpholinylmethyl)-1,3,4-oxadiazole-2(3H)-thione
CID 990767
3-[(dimethylamino)methyl]-5-({[6-methyl-2-(4-morpholinyl)-4-pyrimidinyl]sulfanyl}methyl)-1,3,4-oxadiazole-2(3H)-thione
CID 990768
2-(2-Chloro-6-methyl-pyrimidin-4-ylsulfanyl)-4,6-di-morpholin-4-yl-[1,3,5]triazine
CID 3157005
[4-(2-Chloro-6-methyl-pyrimidin-4-ylsulfanyl)-6-morpholin-4-yl-[1,3,5]triazin-2-yl]-ethyl-amine
CID 3157302

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The IUPAC name of 4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine (CID 3157004) is 4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The canonical SMILES for 4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is Cc1cc(Sc2nc(N(C)C)nc(N3CCOCC3)n2)nc(Cl)n1.
What is the InChIKey of 4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
The InChIKey is KGWQZIFXCKNWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN7OS/c1-9-8-10(17-11(15)16-9)24-14-19-12(21(2)3)18-13(20-14)22-4-6-23-7-5-22/h8H,4-7H2,1-3H3.
What are the key properties of 4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine?
4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine has a molecular weight of 367.87 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-N,N-dimethyl-6-morpholin-4-yl-1,3,5-triazin-2-amine is sourced from PubChem (CID 3157004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).