2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine

C11H8N4OS — CID 116798176

IUPAC2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESNc1ccnc(Sc2nc3ccccc3o2)n1
InChIInChI=1S/C11H8N4OS/c12-9-5-6-13-10(15-9)17-11-14-7-3-1-2-4-8(7)16-11/h1-6H,(H2,12,13,15)
InChIKeyURMLYSVTJRWBJD-UHFFFAOYSA-N
MW244.28 g/mol
LogP2.35
Rot. Bonds2

About 2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine

2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine (PubChem CID 116798176) has the molecular formula C11H8N4OS and a molecular weight of 244.28 g/mol. Its IUPAC name is 2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine
PubChem CID116798176
Molecular FormulaC11H8N4OS
Molecular Weight244.28 g/mol
Exact Mass244.04
IUPAC Name2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESNc1ccnc(Sc2nc3ccccc3o2)n1
InChIInChI=1S/C11H8N4OS/c12-9-5-6-13-10(15-9)17-11-14-7-3-1-2-4-8(7)16-11/h1-6H,(H2,12,13,15)
InChIKeyURMLYSVTJRWBJD-UHFFFAOYSA-N
XLogP2.35
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.28
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidine-4-carbonitrile
CID 107551342
4-(1,3-benzoxazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80893034
4-(1,3-benzoxazol-2-ylsulfanylmethyl)pyridin-2-amine
CID 62467489
2-(1,3-oxazol-2-ylsulfanyl)pyrimidin-4-amine
CID 106928161
2-(1,3-benzoxazol-2-ylsulfanyl)-2-methylpropan-1-amine
CID 104523422
3-(1,3-benzoxazol-2-yl)pyrazin-2-amine
CID 67388669
4-(1,3-benzoxazol-2-ylsulfanyl)-2-methyl-1H-imidazol-5-amine
CID 55011762
4-(1,3-benzoxazol-2-ylsulfanyl)chromen-2-one
CID 23962876
iodomethane;2-methylsulfanyl-1,3-benzoxazole
CID 69051605
6-(1,3-benzoxazol-2-ylsulfanyl)-5-nitropyrimidin-4-amine
CID 3564117
2-pyridin-4-ylsulfanylpyrimidin-4-amine
CID 116798308
3-amino-5-(1,3-benzoxazol-2-ylsulfanyl)benzenesulfonamide
CID 60987266

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine (CID 116798176) is 2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine is Nc1ccnc(Sc2nc3ccccc3o2)n1.
What is the InChIKey of 2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is URMLYSVTJRWBJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N4OS/c12-9-5-6-13-10(15-9)17-11-14-7-3-1-2-4-8(7)16-11/h1-6H,(H2,12,13,15).
What are the key properties of 2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine?
2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 244.28 g/mol, XLogP of 2.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazol-2-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 116798176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).