4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one

C13H19N5O — CID 136973860

IUPAC4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCCn2ccnc2)cc(=O)[nH]1
InChIInChI=1S/C13H19N5O/c1-10(2)13-16-11(8-12(19)17-13)15-4-3-6-18-7-5-14-9-18/h5,7-10H,3-4,6H2,1-2H3,(H2,15,16,17,19)
InChIKeyZKVRZVXATDKMKO-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.59
Rot. Bonds6

About 4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one

4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136973860) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136973860
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCCCn2ccnc2)cc(=O)[nH]1
InChIInChI=1S/C13H19N5O/c1-10(2)13-16-11(8-12(19)17-13)15-4-3-6-18-7-5-14-9-18/h5,7-10H,3-4,6H2,1-2H3,(H2,15,16,17,19)
InChIKeyZKVRZVXATDKMKO-UHFFFAOYSA-N
XLogP1.59
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974229
4-N-(3-imidazol-1-ylpropyl)-6-N,2-dimethylpyrimidine-4,6-diamine
CID 80753606
4-[3-(2-methylpropoxy)propylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136764967
6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)pyrimidine-4,6-diamine
CID 80753525
N-(3-imidazol-1-ylpropyl)-6-methylpyrimidin-4-amine
CID 61225498
tert-butyl N-[3-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]propyl]carbamate
CID 136900907
4-[2-(1-methylpyrazol-4-yl)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976486
4-[2-(2-methylpropoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016699
6-N-ethyl-4-N-(3-imidazol-1-ylpropyl)-2-methylsulfanylpyrimidine-4,6-diamine
CID 80753527
N-(3-imidazol-1-ylpropyl)-1-methylpyrazol-3-amine
CID 79778766
4-(4-imidazol-1-ylbutylamino)-1H-pyridazin-6-one
CID 114392088
6-hydrazinyl-N-(2-imidazol-1-ylethyl)-2-propan-2-ylpyrimidin-4-amine
CID 80964166

Frequently Asked Questions

What is the IUPAC name of 4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 136973860) is 4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCCCn2ccnc2)cc(=O)[nH]1.
What is the InChIKey of 4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is ZKVRZVXATDKMKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-10(2)13-16-11(8-12(19)17-13)15-4-3-6-18-7-5-14-9-18/h5,7-10H,3-4,6H2,1-2H3,(H2,15,16,17,19).
What are the key properties of 4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 261.33 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-imidazol-1-ylpropylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136973860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).