2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one

C12H20N4O — CID 135491376

IUPAC2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(N2CCN(C)CC2)n1
InChIInChI=1S/C12H20N4O/c1-9(2)10-8-11(17)14-12(13-10)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3,(H,13,14,17)
InChIKeyDBAPKVQIAFMHHT-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.65
Rot. Bonds2

About 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one

2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 135491376) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID135491376
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(N2CCN(C)CC2)n1
InChIInChI=1S/C12H20N4O/c1-9(2)10-8-11(17)14-12(13-10)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3,(H,13,14,17)
InChIKeyDBAPKVQIAFMHHT-UHFFFAOYSA-N
XLogP0.65
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one (CID 135491376) is 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(N2CCN(C)CC2)n1.
What is the InChIKey of 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is DBAPKVQIAFMHHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)10-8-11(17)14-12(13-10)16-6-4-15(3)5-7-16/h8-9H,4-7H2,1-3H3,(H,13,14,17).
What are the key properties of 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one?
2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 236.32 g/mol, XLogP of 0.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpiperazin-1-yl)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 135491376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).