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

C15H15N7OS — CID 940705

IUPAC2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(CSc3ncccn3)n2)cc1
InChIInChI=1S/C15H15N7OS/c1-23-11-5-3-10(4-6-11)19-14-21-12(20-13(16)22-14)9-24-15-17-7-2-8-18-15/h2-8H,9H2,1H3,(H3,16,19,20,21,22)
InChIKeyMBBQDDSTYSFRSM-UHFFFAOYSA-N
MW341.40 g/mol
LogP2.29
Rot. Bonds6

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

2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (PubChem CID 940705) has the molecular formula C15H15N7OS and a molecular weight of 341.40 g/mol. Its IUPAC name is 2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.

Molecular Properties

Compound Name2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
PubChem CID940705
Molecular FormulaC15H15N7OS
Molecular Weight341.40 g/mol
Exact Mass341.11
IUPAC Name2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
SMILESCOc1ccc(Nc2nc(N)nc(CSc3ncccn3)n2)cc1
InChIInChI=1S/C15H15N7OS/c1-23-11-5-3-10(4-6-11)19-14-21-12(20-13(16)22-14)9-24-15-17-7-2-8-18-15/h2-8H,9H2,1H3,(H3,16,19,20,21,22)
InChIKeyMBBQDDSTYSFRSM-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

6-[(3-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 35041524
6-(chloromethyl)-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 931904
6-[(4-methoxyphenoxy)methyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 937121
6-[(2-methoxyphenyl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 60594077
6-[(5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)sulfanylmethyl]-2-N-(4-fluorophenyl)-1,3,5-triazine-2,4-diamine
CID 27238315
[4-amino-6-(4-propan-2-yloxyanilino)-1,3,5-triazin-2-yl]methanol
CID 175988761
6-[(3,5-dimethylpiperidin-1-yl)methyl]-2-N-(4-methoxyphenyl)-1,3,5-triazine-2,4-diamine
CID 2952184
2-N-(4-fluorophenyl)-6-[(3-methylquinoxalin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 35502155
6-[(5-tert-butyl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-2-N-phenyl-1,3,5-triazine-2,4-diamine
CID 55866773
2-N-(4-methylphenyl)-6-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 8025742
2-N-(4-chlorophenyl)-6-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine
CID 17450512
2-N-(4-fluorophenyl)-6-(3-phenoxypropylsulfanylmethyl)-1,3,5-triazine-2,4-diamine
CID 17391813

Frequently Asked Questions

What is the IUPAC name of 2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The IUPAC name of 2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine (CID 940705) is 2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine.
What is the SMILES notation for 2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The canonical SMILES for 2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is COc1ccc(Nc2nc(N)nc(CSc3ncccn3)n2)cc1.
What is the InChIKey of 2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
The InChIKey is MBBQDDSTYSFRSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7OS/c1-23-11-5-3-10(4-6-11)19-14-21-12(20-13(16)22-14)9-24-15-17-7-2-8-18-15/h2-8H,9H2,1H3,(H3,16,19,20,21,22).
What are the key properties of 2-N-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine?
2-N-(4-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-(4-methoxyphenyl)-6-(pyrimidin-2-ylsulfanylmethyl)-1,3,5-triazine-2,4-diamine is sourced from PubChem (CID 940705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).