6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

C18H16N4OS — CID 18460042

IUPAC6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCc3ccccc3)nc(-c3ccno3)nc2s1
InChIInChI=1S/C18H16N4OS/c1-12-11-14-16(19-9-7-13-5-3-2-4-6-13)21-17(22-18(14)24-12)15-8-10-20-23-15/h2-6,8,10-11H,7,9H2,1H3,(H,19,21,22)
InChIKeyFNRBVFBAGXZDBG-UHFFFAOYSA-N
MW336.42 g/mol
LogP4.31
Rot. Bonds5

About 6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine

6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 18460042) has the molecular formula C18H16N4OS and a molecular weight of 336.42 g/mol. Its IUPAC name is 6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID18460042
Molecular FormulaC18H16N4OS
Molecular Weight336.42 g/mol
Exact Mass336.10
IUPAC Name6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(NCCc3ccccc3)nc(-c3ccno3)nc2s1
InChIInChI=1S/C18H16N4OS/c1-12-11-14-16(19-9-7-13-5-3-2-4-6-13)21-17(22-18(14)24-12)15-8-10-20-23-15/h2-6,8,10-11H,7,9H2,1H3,(H,19,21,22)
InChIKeyFNRBVFBAGXZDBG-UHFFFAOYSA-N
XLogP4.31
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]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

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 18460042) is 6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(NCCc3ccccc3)nc(-c3ccno3)nc2s1.
What is the InChIKey of 6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is FNRBVFBAGXZDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4OS/c1-12-11-14-16(19-9-7-13-5-3-2-4-6-13)21-17(22-18(14)24-12)15-8-10-20-23-15/h2-6,8,10-11H,7,9H2,1H3,(H,19,21,22).
What are the key properties of 6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine?
6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 336.42 g/mol, XLogP of 4.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(1,2-oxazol-5-yl)-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18460042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).