2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one

C22H19N5O3 — CID 67375298

IUPAC2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(/N=C/c2c(Nc3ccc(OC)cc3)nc3ncccn3c2=O)cc1
InChIInChI=1S/C22H19N5O3/c1-29-17-8-4-15(5-9-17)24-14-19-20(25-16-6-10-18(30-2)11-7-16)26-22-23-12-3-13-27(22)21(19)28/h3-14,25H,1-2H3/b24-14+
InChIKeySPORJNUZBGVUGZ-ZVHZXABRSA-N
MW401.43 g/mol
LogP3.60
Rot. Bonds6

About 2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one

2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one (PubChem CID 67375298) has the molecular formula C22H19N5O3 and a molecular weight of 401.43 g/mol. Its IUPAC name is 2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one
PubChem CID67375298
Molecular FormulaC22H19N5O3
Molecular Weight401.43 g/mol
Exact Mass401.15
IUPAC Name2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one
SMILESCOc1ccc(/N=C/c2c(Nc3ccc(OC)cc3)nc3ncccn3c2=O)cc1
InChIInChI=1S/C22H19N5O3/c1-29-17-8-4-15(5-9-17)24-14-19-20(25-16-6-10-18(30-2)11-7-16)26-22-23-12-3-13-27(22)21(19)28/h3-14,25H,1-2H3/b24-14+
InChIKeySPORJNUZBGVUGZ-ZVHZXABRSA-N
XLogP3.60
TPSA90.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.43
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[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

Related Compounds

2-(4-ethoxyanilino)-3-[(4-ethoxyphenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 1159853
2-anilino-3-[(4-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 1159741
2-anilino-3-[(3-chlorophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 1159739
2-[4-(difluoromethylsulfanyl)anilino]-9-methyl-3-[(4-nitrophenyl)iminomethyl]pyrido[1,2-a]pyrimidin-4-one
CID 21235720
N-(4-methoxyphenyl)-5-[(4-methoxyphenyl)iminomethyl]-3-methyl-1-pyridin-2-yl-6,7-dihydroindazol-4-amine
CID 991147
1-(2,6-dichlorophenyl)-N-(4-methoxyphenyl)methanimine
CID 927293
2-(2-methoxyanilino)-3-[(2-methoxyphenyl)iminomethyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 15992185
N-(4-methoxyphenyl)imidazo[1,5-a]pyridin-3-amine
CID 12629169
2-(4-methoxyphenyl)-4-[(4-methoxyphenyl)iminomethyl]-5-methyl-1H-pyrazol-3-one
CID 135635182
2-methoxy-6-[[4-(4-methoxyanilino)phenyl]iminomethyl]phenol
CID 135774276
4-imidazo[1,2-a]pyridin-3-yl-N-(4-methoxyphenyl)pyrimidin-2-amine
CID 57490526
N-(4-methoxyphenyl)-2-methylpyrimidin-4-amine
CID 91342021

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one (CID 67375298) is 2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one is COc1ccc(/N=C/c2c(Nc3ccc(OC)cc3)nc3ncccn3c2=O)cc1.
What is the InChIKey of 2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one?
The InChIKey is SPORJNUZBGVUGZ-ZVHZXABRSA-N. The full InChI is InChI=1S/C22H19N5O3/c1-29-17-8-4-15(5-9-17)24-14-19-20(25-16-6-10-18(30-2)11-7-16)26-22-23-12-3-13-27(22)21(19)28/h3-14,25H,1-2H3/b24-14+.
What are the key properties of 2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one?
2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one has a molecular weight of 401.43 g/mol, XLogP of 3.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyanilino)-3-[(4-methoxyphenyl)iminomethyl]pyrimido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 67375298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).