9-anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

C19H20N4O2 — CID 122179704

IUPAC9-anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C19H20N4O2/c1-14-11-16(20-15-5-3-2-4-6-15)19-21-17(12-18(24)23(19)13-14)22-7-9-25-10-8-22/h2-6,11-13,20H,7-10H2,1H3
InChIKeyJHVVQVUXLCFBAH-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.58
Rot. Bonds3

About 9-anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one

9-anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 122179704) has the molecular formula C19H20N4O2 and a molecular weight of 336.40 g/mol. Its IUPAC name is 9-anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
PubChem CID122179704
Molecular FormulaC19H20N4O2
Molecular Weight336.40 g/mol
Exact Mass336.16
IUPAC Name9-anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1
InChIInChI=1S/C19H20N4O2/c1-14-11-16(20-15-5-3-2-4-6-15)19-21-17(12-18(24)23(19)13-14)22-7-9-25-10-8-22/h2-6,11-13,20H,7-10H2,1H3
InChIKeyJHVVQVUXLCFBAH-UHFFFAOYSA-N
XLogP2.58
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one (CID 122179704) is 9-anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is Cc1cc(Nc2ccccc2)c2nc(N3CCOCC3)cc(=O)n2c1.
What is the InChIKey of 9-anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is JHVVQVUXLCFBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O2/c1-14-11-16(20-15-5-3-2-4-6-15)19-21-17(12-18(24)23(19)13-14)22-7-9-25-10-8-22/h2-6,11-13,20H,7-10H2,1H3.
What are the key properties of 9-anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one?
9-anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 336.40 g/mol, XLogP of 2.58, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-anilino-7-methyl-2-morpholin-4-ylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 122179704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).