2-N-(2-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

C15H15N7OS — CID 901224

IUPAC2-N-(2-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(CSc2ncccn2)n1
InChIInChI=1S/C15H15N7OS/c1-23-11-6-3-2-5-10(11)19-14-21-12(20-13(16)22-14)9-24-15-17-7-4-8-18-15/h2-8H,9H2,1H3,(H3,16,19,20,21,22)
InChIKeyTVQXBMBTJPALLI-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.29
Rot. Bonds6

About 2-N-(2-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine

2-N-(2-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 901224) has the molecular formula C15H15N7OS and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-N-(2-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID901224
Molecular FormulaC15H15N7OS
Molecular Weight341.40 g/mol
Exact Mass341.11
IUPAC Name2-N-(2-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccccc1Nc1nc(N)nc(CSc2ncccn2)n1
InChIInChI=1S/C15H15N7OS/c1-23-11-6-3-2-5-10(11)19-14-21-12(20-13(16)22-14)9-24-15-17-7-4-8-18-15/h2-8H,9H2,1H3,(H3,16,19,20,21,22)
InChIKeyTVQXBMBTJPALLI-UHFFFAOYSA-N
XLogP2.29
TPSA111.73 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

Bisanilinopyrimidine, 6f
CID 70702137
4-N-(2-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328060
2-[4-(2-Methoxyphenyl)piperazin-1-yl]-4-methylpyrimidine
CID 6487569
N-(4-Methoxy-phenyl)-6-(4-methyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 1090234
5-chloro-2-N-(2-methoxyphenyl)-4-N-methylpyrimidine-2,4-diamine
CID 70099013
N-(2-Methoxy-phenyl)-6-(4-methyl-pyrimidin-2-ylsulfanylmethyl)-[1,3,5]triazine-2,4-diamine
CID 649324
N-(2-methoxyphenyl)-4-(pyrimidin-2-yl)piperazine-1-carboxamide
CID 736392
2-((4,6-Diaminopyrimidin-2-yl)thio)-N-(2-methoxyphenyl)acetamide
CID 846576
N-(2-methoxyphenyl)-4-pyrimidin-2-ylpiperazine-1-carbothioamide
CID 945295
6-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-N2-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 1090230
2-[1-(2-methoxyphenyl)tetrazol-5-yl]sulfanyl-N-pyridin-2-ylacetamide
CID 1253189
N-(2-methoxy-5-nitrophenyl)-2-(4-methylpyrimidin-2-yl)sulfanylacetamide
CID 2391270

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(2-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (CID 901224) is 2-N-(2-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(2-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(2-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is COc1ccccc1Nc1nc(N)nc(CSc2ncccn2)n1.
What is the InChIKey of 2-N-(2-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is TVQXBMBTJPALLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7OS/c1-23-11-6-3-2-5-10(11)19-14-21-12(20-13(16)22-14)9-24-15-17-7-4-8-18-15/h2-8H,9H2,1H3,(H3,16,19,20,21,22).
What are the key properties of 2-N-(2-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
2-N-(2-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine has a molecular weight of 341.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 901224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).