7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

C20H24N4OS — CID 134243582

IUPAC7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESC=Nc1c(/C=C(C)/C=C/c2nc(C)cs2)nc2n(c1=O)CC(C)(C)CC2
InChIInChI=1S/C20H24N4OS/c1-13(6-7-17-22-14(2)11-26-17)10-15-18(21-5)19(25)24-12-20(3,4)9-8-16(24)23-15/h6-7,10-11H,5,8-9,12H2,1-4H3/b7-6+,13-10+
InChIKeyGEZHGNDXDXJLTN-FCXQYMQBSA-N
MW368.51 g/mol
LogP4.43
Rot. Bonds4

About 7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one

7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (PubChem CID 134243582) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
PubChem CID134243582
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one
SMILESC=Nc1c(/C=C(C)/C=C/c2nc(C)cs2)nc2n(c1=O)CC(C)(C)CC2
InChIInChI=1S/C20H24N4OS/c1-13(6-7-17-22-14(2)11-26-17)10-15-18(21-5)19(25)24-12-20(3,4)9-8-16(24)23-15/h6-7,10-11H,5,8-9,12H2,1-4H3/b7-6+,13-10+
InChIKeyGEZHGNDXDXJLTN-FCXQYMQBSA-N
XLogP4.43
TPSA60.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze 7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one 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 7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one (CID 134243582) is 7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is C=Nc1c(/C=C(C)/C=C/c2nc(C)cs2)nc2n(c1=O)CC(C)(C)CC2.
What is the InChIKey of 7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is GEZHGNDXDXJLTN-FCXQYMQBSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-13(6-7-17-22-14(2)11-26-17)10-15-18(21-5)19(25)24-12-20(3,4)9-8-16(24)23-15/h6-7,10-11H,5,8-9,12H2,1-4H3/b7-6+,13-10+.
What are the key properties of 7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one?
7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 368.51 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,7-dimethyl-3-(methylideneamino)-2-[(1E,3E)-2-methyl-4-(4-methyl-1,3-thiazol-2-yl)buta-1,3-dienyl]-8,9-dihydro-6H-pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 134243582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).