2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C14H18N4O — CID 104975427

IUPAC2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1CN(Cc2cc(=O)n3ccccc3n2)CCN1
InChIInChI=1S/C14H18N4O/c1-11-9-17(7-5-15-11)10-12-8-14(19)18-6-3-2-4-13(18)16-12/h2-4,6,8,11,15H,5,7,9-10H2,1H3/t11-/m1/s1
InChIKeyRSIQKCSBSHMNEP-LLVKDONJSA-N
MW258.32 g/mol
LogP0.49
Rot. Bonds2

About 2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 104975427) has the molecular formula C14H18N4O and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID104975427
Molecular FormulaC14H18N4O
Molecular Weight258.32 g/mol
Exact Mass258.15
IUPAC Name2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESC[C@@H]1CN(Cc2cc(=O)n3ccccc3n2)CCN1
InChIInChI=1S/C14H18N4O/c1-11-9-17(7-5-15-11)10-12-8-14(19)18-6-3-2-4-13(18)16-12/h2-4,6,8,11,15H,5,7,9-10H2,1H3/t11-/m1/s1
InChIKeyRSIQKCSBSHMNEP-LLVKDONJSA-N
XLogP0.49
TPSA49.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

8-methyl-2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 104975286
2-[[(3R,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 97253121
2-(3,9-diazabicyclo[4.2.1]nonan-3-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 81495729
2-[(4-hydroxypiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42883595
2-[[(2S)-2-phenylmorpholin-4-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92853203
2-[(2-methylpiperidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 18087389
2-[[(3R)-3-methylpiperazin-1-yl]methyl]quinoline
CID 113345872
2-[(3-methyl-1,4-diazepan-1-yl)methyl]imidazo[1,2-a]pyridine
CID 64859024
2-[(2,2-dimethylmorpholin-4-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 86984153
2-[2-[(3R)-3-methylpiperazin-1-yl]ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 104975319
2-[2-(3-methylpiperazin-1-yl)ethyl]-[1,2,4]triazolo[4,3-a]pyridin-3-one;hydrochloride
CID 119924408
2-(1,4-diazaspiro[5.5]undecan-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 119933495

Frequently Asked Questions

What is the IUPAC name of 2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 104975427) is 2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is C[C@@H]1CN(Cc2cc(=O)n3ccccc3n2)CCN1.
What is the InChIKey of 2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RSIQKCSBSHMNEP-LLVKDONJSA-N. The full InChI is InChI=1S/C14H18N4O/c1-11-9-17(7-5-15-11)10-12-8-14(19)18-6-3-2-4-13(18)16-12/h2-4,6,8,11,15H,5,7,9-10H2,1H3/t11-/m1/s1.
What are the key properties of 2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 258.32 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3R)-3-methylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 104975427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).