4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one

C15H25N5O — CID 136972855

IUPAC4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC(C)(CN)N1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C15H25N5O/c1-15(2,10-16)20-7-5-19(6-8-20)12-9-13(21)18-14(17-12)11-3-4-11/h9,11H,3-8,10,16H2,1-2H3,(H,17,18,21)
InChIKeyULZICAVCFGCDSH-UHFFFAOYSA-N
MW291.40 g/mol
LogP0.51
Rot. Bonds4

About 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one

4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one (PubChem CID 136972855) has the molecular formula C15H25N5O and a molecular weight of 291.40 g/mol. Its IUPAC name is 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
PubChem CID136972855
Molecular FormulaC15H25N5O
Molecular Weight291.40 g/mol
Exact Mass291.21
IUPAC Name4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
SMILESCC(C)(CN)N1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1
InChIInChI=1S/C15H25N5O/c1-15(2,10-16)20-7-5-19(6-8-20)12-9-13(21)18-14(17-12)11-3-4-11/h9,11H,3-8,10,16H2,1-2H3,(H,17,18,21)
InChIKeyULZICAVCFGCDSH-UHFFFAOYSA-N
XLogP0.51
TPSA78.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 50.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one with MolForge

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Related Compounds

2-cyclopropyl-4-(4-ethylazepan-1-yl)-1H-pyrimidin-6-one
CID 137009763
4-[4-(2-aminoethyl)-1,4-diazepan-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 136972628
2-cyclopropyl-4-(4-methyl-1,4-diazepan-1-yl)-1H-pyrimidin-6-one
CID 136989892
4-[4-(2-aminoethoxy)piperidin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one
CID 137008671
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperidine-4-carboxamide
CID 137008934
2-cyclopropyl-4-(4-hydroxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136961769
2-cyclopropyl-4-(3-ethylpyrrolidin-1-yl)-1H-pyrimidin-6-one
CID 137009930
2-[4-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)piperazin-1-yl]propanoic acid
CID 136958750
2-cyclopropyl-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821998
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-1,4-diazepan-5-one
CID 137009553
1-(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-N-methylpiperidine-4-carboxamide
CID 137009141
2-cyclopropyl-4-[4-[(cyclopropylamino)methyl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 137007807

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one (CID 136972855) is 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one is CC(C)(CN)N1CCN(c2cc(=O)[nH]c(C3CC3)n2)CC1.
What is the InChIKey of 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
The InChIKey is ULZICAVCFGCDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O/c1-15(2,10-16)20-7-5-19(6-8-20)12-9-13(21)18-14(17-12)11-3-4-11/h9,11H,3-8,10,16H2,1-2H3,(H,17,18,21).
What are the key properties of 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one?
4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one has a molecular weight of 291.40 g/mol, XLogP of 0.51, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-amino-2-methylpropan-2-yl)piperazin-1-yl]-2-cyclopropyl-1H-pyrimidin-6-one is sourced from PubChem (CID 136972855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).