2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one

C12H18N4O — CID 82510391

IUPAC2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CC2)ncc1CN1CCNCC1
InChIInChI=1S/C12H18N4O/c17-12-10(8-16-5-3-13-4-6-16)7-14-11(15-12)9-1-2-9/h7,9,13H,1-6,8H2,(H,14,15,17)
InChIKeyKLULPYKJVJDJAR-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.05
Rot. Bonds3

About 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one

2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 82510391) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
PubChem CID82510391
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
SMILESO=c1[nH]c(C2CC2)ncc1CN1CCNCC1
InChIInChI=1S/C12H18N4O/c17-12-10(8-16-5-3-13-4-6-16)7-14-11(15-12)9-1-2-9/h7,9,13H,1-6,8H2,(H,14,15,17)
InChIKeyKLULPYKJVJDJAR-UHFFFAOYSA-N
XLogP0.05
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6,7,8,9-tetrahydro-4H-pyrazino[1,2-a]pyrimidine-3-carboxamide
CID 156102762
2-cyclopropyl-N-[3-(4-methylpiperazin-1-yl)butyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74233281
2-cyclopropyl-N-[2-(diisopropylamino)ethyl]-6-oxo-1,6-dihydropyrimidine-5-carboxamide
CID 74248400
5-(aminomethyl)-2-cyclopropyl-1H-pyrimidin-6-one
CID 82502898
2-methyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82507622
2-methyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82509423
2-ethyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one
CID 82509438
2-ethyl-5-(piperazine-1-carbonyl)-1H-pyrimidin-6-one
CID 82510676
5-(piperazin-1-ylmethyl)-2-propan-2-yl-1H-pyrimidin-6-one
CID 82510715
2-cyclopropyl-5-(methylaminomethyl)-1H-pyrimidin-6-one
CID 83875150
3-(Aminomethyl)-6,7,8,9-tetrahydropyrazino[1,2-a]pyrimidin-4-one
CID 83875433
2,3-Dimethyl-5-(piperazin-1-ylmethyl)pyrimidin-4-one
CID 83890793

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one (CID 82510391) is 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is O=c1[nH]c(C2CC2)ncc1CN1CCNCC1.
What is the InChIKey of 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is KLULPYKJVJDJAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c17-12-10(8-16-5-3-13-4-6-16)7-14-11(15-12)9-1-2-9/h7,9,13H,1-6,8H2,(H,14,15,17).
What are the key properties of 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one?
2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 234.30 g/mol, XLogP of 0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-(piperazin-1-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 82510391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).