6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine

C14H14N4OS — CID 80892797

IUPAC6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2nc3ccccc3o2)ncn1
InChIInChI=1S/C14H14N4OS/c1-2-7-15-12-8-13(17-9-16-12)20-14-18-10-5-3-4-6-11(10)19-14/h3-6,8-9H,2,7H2,1H3,(H,15,16,17)
InChIKeyLEWZIAVNPFSZOG-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.59
Rot. Bonds5

About 6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine

6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine (PubChem CID 80892797) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
PubChem CID80892797
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(Sc2nc3ccccc3o2)ncn1
InChIInChI=1S/C14H14N4OS/c1-2-7-15-12-8-13(17-9-16-12)20-14-18-10-5-3-4-6-11(10)19-14/h3-6,8-9H,2,7H2,1H3,(H,15,16,17)
InChIKeyLEWZIAVNPFSZOG-UHFFFAOYSA-N
XLogP3.59
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-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

6-(1,3-benzoxazol-2-ylsulfanyl)-2-ethyl-N-methylpyrimidin-4-amine
CID 80937330
6-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylpyrazin-2-amine
CID 80893597
6-[(3-bromo-2-pyridinyl)sulfanyl]-N-propylpyrimidin-4-amine
CID 80891150
N-propyl-1,3-benzoxazol-2-amine
CID 584386
3-(1,3-benzoxazol-2-ylsulfanylmethyl)-N-propylpyridin-2-amine
CID 62467130
2-(6-propylpyrimidin-4-yl)sulfanyl-1,3-benzoxazol-5-amine
CID 61370820
4-(1,3-benzoxazol-2-ylsulfanyl)-N-methylpyrimidin-2-amine
CID 80893034
2-[6-(propylamino)pyrimidin-4-yl]sulfanylethanol
CID 80885147
2-(2-chloro-6-methylpyrimidin-4-yl)sulfanyl-1,3-benzoxazole
CID 62483848
1-(1,3-benzoxazol-2-ylsulfanyl)-N-propylbutan-2-amine
CID 64650346
2-(1,3-benzoxazol-2-ylsulfanyl)-N-ethylethanamine
CID 53211552
N-ethyl-6-pyridin-2-ylsulfanylpyrimidin-4-amine
CID 80882443

Frequently Asked Questions

What is the IUPAC name of 6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine (CID 80892797) is 6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine is CCCNc1cc(Sc2nc3ccccc3o2)ncn1.
What is the InChIKey of 6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine?
The InChIKey is LEWZIAVNPFSZOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-2-7-15-12-8-13(17-9-16-12)20-14-18-10-5-3-4-6-11(10)19-14/h3-6,8-9H,2,7H2,1H3,(H,15,16,17).
What are the key properties of 6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine?
6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine has a molecular weight of 286.36 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1,3-benzoxazol-2-ylsulfanyl)-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80892797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).