9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C15H20N4O2 — CID 15184728

IUPAC9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2ccc(CN3CCN(C)CC3)c(O)c2n1
InChIInChI=1S/C15H20N4O2/c1-11-9-13(20)19-4-3-12(14(21)15(19)16-11)10-18-7-5-17(2)6-8-18/h3-4,9,21H,5-8,10H2,1-2H3
InChIKeyPCXXNTAGCXMWSP-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.46
Rot. Bonds2

About 9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 15184728) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID15184728
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cc(=O)n2ccc(CN3CCN(C)CC3)c(O)c2n1
InChIInChI=1S/C15H20N4O2/c1-11-9-13(20)19-4-3-12(14(21)15(19)16-11)10-18-7-5-17(2)6-8-18/h3-4,9,21H,5-8,10H2,1-2H3
InChIKeyPCXXNTAGCXMWSP-UHFFFAOYSA-N
XLogP0.46
TPSA61.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

Dock5-IN-1
CID 2827827
9-Hydroxy-2-methylpyrido[1,2-a]pyrimidin-4-one
CID 796646
2-Methyl-8-piperidinomethyl-9-hydroxy-4h-pyrido[1,2-a]pyrimidin-4-one
CID 760815
3-ethyl-9-hydroxy-2-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 12527413
9-Hydroxy-2,3-dimethyl-4H-pyrido[1,2-a]pyrimidin-4-one
CID 18918850
9-Hydroxy-2-methyl-8-(morpholin-4-ylmethyl)-5-hydropyridino[1,2-a]pyrimidin-4-one
CID 750427
9-Hydroxy-2-methyl-8-(morpholin-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 2868163
9-Hydroxy-2-methyl-8-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 45926313
9-hydroxy-2,8-dimethyl-4H-pyrido[1,2-a]-pyrimidin-4-one
CID 21436684
9-Hydroxy-2,8-dimethylpyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 21436702
2-Ethyl-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 59532553
9-Hydroxy-2-propan-2-ylpyrido[1,2-a]pyrimidin-4-one
CID 59532558

Frequently Asked Questions

What is the IUPAC name of 9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 15184728) is 9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cc(=O)n2ccc(CN3CCN(C)CC3)c(O)c2n1.
What is the InChIKey of 9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PCXXNTAGCXMWSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-11-9-13(20)19-4-3-12(14(21)15(19)16-11)10-18-7-5-17(2)6-8-18/h3-4,9,21H,5-8,10H2,1-2H3.
What are the key properties of 9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 288.35 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-hydroxy-2-methyl-8-[(4-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 15184728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).