4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one

C9H14N4O — CID 135764042

IUPAC4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCNCC2)n1
InChIInChI=1S/C9H14N4O/c1-7-6-8(14)12-9(11-7)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3,(H,11,12,14)
InChIKeyHMAVWOFXKXDEEZ-UHFFFAOYSA-N
MW194.24 g/mol
LogP-0.51
Rot. Bonds1

About 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one

4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 135764042) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID135764042
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCc1cc(=O)[nH]c(N2CCNCC2)n1
InChIInChI=1S/C9H14N4O/c1-7-6-8(14)12-9(11-7)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3,(H,11,12,14)
InChIKeyHMAVWOFXKXDEEZ-UHFFFAOYSA-N
XLogP-0.51
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one (CID 135764042) is 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one is Cc1cc(=O)[nH]c(N2CCNCC2)n1.
What is the InChIKey of 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is HMAVWOFXKXDEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-7-6-8(14)12-9(11-7)13-4-2-10-3-5-13/h6,10H,2-5H2,1H3,(H,11,12,14).
What are the key properties of 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one?
4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 194.24 g/mol, XLogP of -0.51, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135764042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).