6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine

C12H14N4OS — CID 25113144

IUPAC6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CSc2cc(N)nc(N)n2)cc1
InChIInChI=1S/C12H14N4OS/c1-17-9-4-2-8(3-5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H4,13,14,15,16)
InChIKeySMBANLHZRGNZKV-UHFFFAOYSA-N
MW262.34 g/mol
LogP1.94
Rot. Bonds4

About 6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine

6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine (PubChem CID 25113144) has the molecular formula C12H14N4OS and a molecular weight of 262.34 g/mol. Its IUPAC name is 6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine
PubChem CID25113144
Molecular FormulaC12H14N4OS
Molecular Weight262.34 g/mol
Exact Mass262.09
IUPAC Name6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine
SMILESCOc1ccc(CSc2cc(N)nc(N)n2)cc1
InChIInChI=1S/C12H14N4OS/c1-17-9-4-2-8(3-5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H4,13,14,15,16)
InChIKeySMBANLHZRGNZKV-UHFFFAOYSA-N
XLogP1.94
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine (CID 25113144) is 6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine is COc1ccc(CSc2cc(N)nc(N)n2)cc1.
What is the InChIKey of 6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine?
The InChIKey is SMBANLHZRGNZKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4OS/c1-17-9-4-2-8(3-5-9)7-18-11-6-10(13)15-12(14)16-11/h2-6H,7H2,1H3,(H4,13,14,15,16).
What are the key properties of 6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine?
6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine has a molecular weight of 262.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 25113144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).