(5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone

C18H20N2OS — CID 748660

IUPAC(5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone
SMILESC=CCN1Cc2c(sc(C)c2C)N(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H20N2OS/c1-4-10-19-11-16-13(2)14(3)22-18(16)20(12-19)17(21)15-8-6-5-7-9-15/h4-9H,1,10-12H2,2-3H3
InChIKeyVFYWNMHQSDHWIT-UHFFFAOYSA-N
MW312.44 g/mol
LogP3.97
Rot. Bonds3

About (5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone

(5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone (PubChem CID 748660) has the molecular formula C18H20N2OS and a molecular weight of 312.44 g/mol. Its IUPAC name is (5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone.

Molecular Properties

Compound Name(5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone
PubChem CID748660
Molecular FormulaC18H20N2OS
Molecular Weight312.44 g/mol
Exact Mass312.13
IUPAC Name(5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone
SMILESC=CCN1Cc2c(sc(C)c2C)N(C(=O)c2ccccc2)C1
InChIInChI=1S/C18H20N2OS/c1-4-10-19-11-16-13(2)14(3)22-18(16)20(12-19)17(21)15-8-6-5-7-9-15/h4-9H,1,10-12H2,2-3H3
InChIKeyVFYWNMHQSDHWIT-UHFFFAOYSA-N
XLogP3.97
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone 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 (5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone?
The IUPAC name of (5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone (CID 748660) is (5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone.
What is the SMILES notation for (5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone?
The canonical SMILES for (5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone is C=CCN1Cc2c(sc(C)c2C)N(C(=O)c2ccccc2)C1.
What is the InChIKey of (5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone?
The InChIKey is VFYWNMHQSDHWIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2OS/c1-4-10-19-11-16-13(2)14(3)22-18(16)20(12-19)17(21)15-8-6-5-7-9-15/h4-9H,1,10-12H2,2-3H3.
What are the key properties of (5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone?
(5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone has a molecular weight of 312.44 g/mol, XLogP of 3.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5,6-dimethyl-3-prop-2-enyl-2,4-dihydrothieno[2,3-d]pyrimidin-1-yl)-phenylmethanone is sourced from PubChem (CID 748660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).