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'}

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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).