4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

C13H22N4O — CID 136973398

IUPAC4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]c(C(C)C)n2)CC(C)N1
InChIInChI=1S/C13H22N4O/c1-8(2)13-15-11(5-12(18)16-13)17-6-9(3)14-10(4)7-17/h5,8-10,14H,6-7H2,1-4H3,(H,15,16,18)
InChIKeyXWXSOAVJNMODDE-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.08
Rot. Bonds2

About 4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one

4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136973398) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136973398
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC1CN(c2cc(=O)[nH]c(C(C)C)n2)CC(C)N1
InChIInChI=1S/C13H22N4O/c1-8(2)13-15-11(5-12(18)16-13)17-6-9(3)14-10(4)7-17/h5,8-10,14H,6-7H2,1-4H3,(H,15,16,18)
InChIKeyXWXSOAVJNMODDE-UHFFFAOYSA-N
XLogP1.08
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136973398) is 4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is CC1CN(c2cc(=O)[nH]c(C(C)C)n2)CC(C)N1.
What is the InChIKey of 4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is XWXSOAVJNMODDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-8(2)13-15-11(5-12(18)16-13)17-6-9(3)14-10(4)7-17/h5,8-10,14H,6-7H2,1-4H3,(H,15,16,18).
What are the key properties of 4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethylpiperazin-1-yl)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).