6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

C17H19N7OS — CID 1090230

IUPAC6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(CSc3nc(C)cc(C)n3)n2)cc1
InChIInChI=1S/C17H19N7OS/c1-10-8-11(2)20-17(19-10)26-9-14-22-15(18)24-16(23-14)21-12-4-6-13(25-3)7-5-12/h4-8H,9H2,1-3H3,(H3,18,21,22,23,24)
InChIKeyFAZQXFHJCJLUCY-UHFFFAOYSA-N
MW369.45 g/mol
LogP2.91
Rot. Bonds6

About 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine

6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (PubChem CID 1090230) has the molecular formula C17H19N7OS and a molecular weight of 369.45 g/mol. Its IUPAC name is 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
PubChem CID1090230
Molecular FormulaC17H19N7OS
Molecular Weight369.45 g/mol
Exact Mass369.14
IUPAC Name6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(CSc3nc(C)cc(C)n3)n2)cc1
InChIInChI=1S/C17H19N7OS/c1-10-8-11(2)20-17(19-10)26-9-14-22-15(18)24-16(23-14)21-12-4-6-13(25-3)7-5-12/h4-8H,9H2,1-3H3,(H3,18,21,22,23,24)
InChIKeyFAZQXFHJCJLUCY-UHFFFAOYSA-N
XLogP2.91
TPSA111.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.45
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine with MolForge

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Related Compounds

4-((4,6-Dimethylpyrimidin-2-yl)oxy)aniline
CID 767037
6-Benzyl-2-[(3-methoxybenzyl)sulfanyl]pyrimidin-4-amine
CID 44816908
N-(4-methoxyphenyl)-N'-phenylpyrimidine-4,6-diamine
CID 22432844
(4-Ethoxyphenyl){6-[(4-ethoxyphenyl)amino]-4-methylpyrimidin-2-yl}amine
CID 1068699
{4-Amino-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl piperidine-1-carbodithioate
CID 1332897
N-(4-Methoxy-phenyl)-6-(4-methyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 1090234
{4-Amino-6-[(4-methoxyphenyl)amino]-1,3,5-triazin-2-yl}methyl 4-phenylpiperazine-1-carbodithioate
CID 1857242
4-N-(3-fluoro-4-methoxyphenyl)-2-N-(4-methoxyphenyl)-6-piperidin-1-ylpyrimidine-2,4-diamine
CID 57394240
(4-Methoxyphenyl){2-[(4-methoxyphenyl)amino]-6-methylpyrimidin-4-yl}amine
CID 910857
N-(4,6-Dimethyl-pyrimidin-2-yl)-N'-[4-(3-methyl-butoxy)-phenyl]-guanidine
CID 9595080
4-(4-Methoxyphenylamino)-6-methylpyrimidin-2-amine
CID 241827
N-(2-Methoxy-phenyl)-6-(4-methyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 649324

Frequently Asked Questions

What is the IUPAC name of 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine (CID 1090230) is 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(N)nc(CSc3nc(C)cc(C)n3)n2)cc1.
What is the InChIKey of 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is FAZQXFHJCJLUCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N7OS/c1-10-8-11(2)20-17(19-10)26-9-14-22-15(18)24-16(23-14)21-12-4-6-13(25-3)7-5-12/h4-8H,9H2,1-3H3,(H3,18,21,22,23,24).
What are the key properties of 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine?
6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 369.45 g/mol, XLogP of 2.91, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 1090230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).