2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

C16H22N4O — CID 64980823

IUPAC2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN3CC(C)NCC3C)nc2c1
InChIInChI=1S/C16H22N4O/c1-11-4-5-20-15(6-11)18-14(7-16(20)21)10-19-9-12(2)17-8-13(19)3/h4-7,12-13,17H,8-10H2,1-3H3
InChIKeyNUDDUAXKPDESSH-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.19
Rot. Bonds2

About 2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 64980823) has the molecular formula C16H22N4O and a molecular weight of 286.38 g/mol. Its IUPAC name is 2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID64980823
Molecular FormulaC16H22N4O
Molecular Weight286.38 g/mol
Exact Mass286.18
IUPAC Name2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccn2c(=O)cc(CN3CC(C)NCC3C)nc2c1
InChIInChI=1S/C16H22N4O/c1-11-4-5-20-15(6-11)18-14(7-16(20)21)10-19-9-12(2)17-8-13(19)3/h4-7,12-13,17H,8-10H2,1-3H3
InChIKeyNUDDUAXKPDESSH-UHFFFAOYSA-N
XLogP1.19
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 64980823) is 2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is Cc1ccn2c(=O)cc(CN3CC(C)NCC3C)nc2c1.
What is the InChIKey of 2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is NUDDUAXKPDESSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O/c1-11-4-5-20-15(6-11)18-14(7-16(20)21)10-19-9-12(2)17-8-13(19)3/h4-7,12-13,17H,8-10H2,1-3H3.
What are the key properties of 2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 286.38 g/mol, XLogP of 1.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylpiperazin-1-yl)methyl]-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 64980823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).