2,4-dimethyl-5-piperazin-1-yl-1H-pyrimidin-6-one

C10H16N4O — CID 135481922

IUPAC2,4-dimethyl-5-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(N2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-7-9(10(15)13-8(2)12-7)14-5-3-11-4-6-14/h11H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyGJVNXGXWCKVSPF-UHFFFAOYSA-N
MW208.26 g/mol
LogP-0.20
Rot. Bonds1

About 2,4-dimethyl-5-piperazin-1-yl-1H-pyrimidin-6-one

2,4-dimethyl-5-piperazin-1-yl-1H-pyrimidin-6-one (PubChem CID 135481922) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2,4-dimethyl-5-piperazin-1-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,4-dimethyl-5-piperazin-1-yl-1H-pyrimidin-6-one
PubChem CID135481922
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2,4-dimethyl-5-piperazin-1-yl-1H-pyrimidin-6-one
SMILESCc1nc(C)c(N2CCNCC2)c(=O)[nH]1
InChIInChI=1S/C10H16N4O/c1-7-9(10(15)13-8(2)12-7)14-5-3-11-4-6-14/h11H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyGJVNXGXWCKVSPF-UHFFFAOYSA-N
XLogP-0.20
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-5-piperazin-1-yl-1H-pyrimidin-6-one?
The IUPAC name of 2,4-dimethyl-5-piperazin-1-yl-1H-pyrimidin-6-one (CID 135481922) is 2,4-dimethyl-5-piperazin-1-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2,4-dimethyl-5-piperazin-1-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2,4-dimethyl-5-piperazin-1-yl-1H-pyrimidin-6-one is Cc1nc(C)c(N2CCNCC2)c(=O)[nH]1.
What is the InChIKey of 2,4-dimethyl-5-piperazin-1-yl-1H-pyrimidin-6-one?
The InChIKey is GJVNXGXWCKVSPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7-9(10(15)13-8(2)12-7)14-5-3-11-4-6-14/h11H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 2,4-dimethyl-5-piperazin-1-yl-1H-pyrimidin-6-one?
2,4-dimethyl-5-piperazin-1-yl-1H-pyrimidin-6-one has a molecular weight of 208.26 g/mol, XLogP of -0.20, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-5-piperazin-1-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135481922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).