N-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C17H19N3OS — CID 11186079

IUPACN-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(Sc2ccc(NC3=NCCCN3)cc2)cc1
InChIInChI=1S/C17H19N3OS/c1-21-14-5-9-16(10-6-14)22-15-7-3-13(4-8-15)20-17-18-11-2-12-19-17/h3-10H,2,11-12H2,1H3,(H2,18,19,20)
InChIKeySUHUGKVYERTBOD-UHFFFAOYSA-N
MW313.43 g/mol
LogP3.61
Rot. Bonds4

About N-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 11186079) has the molecular formula C17H19N3OS and a molecular weight of 313.43 g/mol. Its IUPAC name is N-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID11186079
Molecular FormulaC17H19N3OS
Molecular Weight313.43 g/mol
Exact Mass313.12
IUPAC NameN-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(Sc2ccc(NC3=NCCCN3)cc2)cc1
InChIInChI=1S/C17H19N3OS/c1-21-14-5-9-16(10-6-14)22-15-7-3-13(4-8-15)20-17-18-11-2-12-19-17/h3-10H,2,11-12H2,1H3,(H2,18,19,20)
InChIKeySUHUGKVYERTBOD-UHFFFAOYSA-N
XLogP3.61
TPSA45.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.43
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-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

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 11186079) is N-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine is COc1ccc(Sc2ccc(NC3=NCCCN3)cc2)cc1.
What is the InChIKey of N-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is SUHUGKVYERTBOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3OS/c1-21-14-5-9-16(10-6-14)22-15-7-3-13(4-8-15)20-17-18-11-2-12-19-17/h3-10H,2,11-12H2,1H3,(H2,18,19,20).
What are the key properties of N-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 313.43 g/mol, XLogP of 3.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-methoxyphenyl)sulfanylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 11186079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).