2-[(4-acetylpiperazin-1-yl)methyl]-7,9-dichloro-8-methylpyrido[1,2-a]pyrimidin-4-one

C16H18Cl2N4O2 — CID 2129425

IUPAC2-[(4-acetylpiperazin-1-yl)methyl]-7,9-dichloro-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)N1CCN(Cc2cc(=O)n3cc(Cl)c(C)c(Cl)c3n2)CC1
InChIInChI=1S/C16H18Cl2N4O2/c1-10-13(17)9-22-14(24)7-12(19-16(22)15(10)18)8-20-3-5-21(6-4-20)11(2)23/h7,9H,3-6,8H2,1-2H3
InChIKeyWVHYLDUVVQXHAN-UHFFFAOYSA-N
MW369.25 g/mol
LogP1.97
Rot. Bonds2

About 2-[(4-acetylpiperazin-1-yl)methyl]-7,9-dichloro-8-methylpyrido[1,2-a]pyrimidin-4-one

2-[(4-acetylpiperazin-1-yl)methyl]-7,9-dichloro-8-methylpyrido[1,2-a]pyrimidin-4-one (PubChem CID 2129425) has the molecular formula C16H18Cl2N4O2 and a molecular weight of 369.25 g/mol. Its IUPAC name is 2-[(4-acetylpiperazin-1-yl)methyl]-7,9-dichloro-8-methylpyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[(4-acetylpiperazin-1-yl)methyl]-7,9-dichloro-8-methylpyrido[1,2-a]pyrimidin-4-one
PubChem CID2129425
Molecular FormulaC16H18Cl2N4O2
Molecular Weight369.25 g/mol
Exact Mass368.08
IUPAC Name2-[(4-acetylpiperazin-1-yl)methyl]-7,9-dichloro-8-methylpyrido[1,2-a]pyrimidin-4-one
SMILESCC(=O)N1CCN(Cc2cc(=O)n3cc(Cl)c(C)c(Cl)c3n2)CC1
InChIInChI=1S/C16H18Cl2N4O2/c1-10-13(17)9-22-14(24)7-12(19-16(22)15(10)18)8-20-3-5-21(6-4-20)11(2)23/h7,9H,3-6,8H2,1-2H3
InChIKeyWVHYLDUVVQXHAN-UHFFFAOYSA-N
XLogP1.97
TPSA57.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.25
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylpiperazin-1-yl)methyl]-7,9-dichloro-8-methylpyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[(4-acetylpiperazin-1-yl)methyl]-7,9-dichloro-8-methylpyrido[1,2-a]pyrimidin-4-one (CID 2129425) is 2-[(4-acetylpiperazin-1-yl)methyl]-7,9-dichloro-8-methylpyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[(4-acetylpiperazin-1-yl)methyl]-7,9-dichloro-8-methylpyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[(4-acetylpiperazin-1-yl)methyl]-7,9-dichloro-8-methylpyrido[1,2-a]pyrimidin-4-one is CC(=O)N1CCN(Cc2cc(=O)n3cc(Cl)c(C)c(Cl)c3n2)CC1.
What is the InChIKey of 2-[(4-acetylpiperazin-1-yl)methyl]-7,9-dichloro-8-methylpyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WVHYLDUVVQXHAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18Cl2N4O2/c1-10-13(17)9-22-14(24)7-12(19-16(22)15(10)18)8-20-3-5-21(6-4-20)11(2)23/h7,9H,3-6,8H2,1-2H3.
What are the key properties of 2-[(4-acetylpiperazin-1-yl)methyl]-7,9-dichloro-8-methylpyrido[1,2-a]pyrimidin-4-one?
2-[(4-acetylpiperazin-1-yl)methyl]-7,9-dichloro-8-methylpyrido[1,2-a]pyrimidin-4-one has a molecular weight of 369.25 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylpiperazin-1-yl)methyl]-7,9-dichloro-8-methylpyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 2129425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).