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

C11H19N3O — CID 136779799

IUPAC2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCCNc1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O/c1-4-5-6-12-11-13-9(8(2)3)7-10(15)14-11/h7-8H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyYLIHNEIYNRAUKR-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.11
Rot. Bonds5

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

2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 136779799) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one
PubChem CID136779799
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one
SMILESCCCCNc1nc(C(C)C)cc(=O)[nH]1
InChIInChI=1S/C11H19N3O/c1-4-5-6-12-11-13-9(8(2)3)7-10(15)14-11/h7-8H,4-6H2,1-3H3,(H2,12,13,14,15)
InChIKeyYLIHNEIYNRAUKR-UHFFFAOYSA-N
XLogP2.11
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(5-hydroxypentylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136780006
2-(6-aminohexylamino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136925187
4-propan-2-yl-2-(3-propan-2-yloxypropylamino)-1H-pyrimidin-6-one
CID 136779988
2-[(4-methylphenyl)methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136779642
methyl 2-(butylamino)-6-oxo-1H-pyrimidine-4-carboxylate
CID 165494612
2-[2-(cyclohexen-1-yl)ethylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136780162
2-(3-butoxypropylamino)-4-ethyl-1H-pyrimidin-6-one
CID 136779616
2-[3-(diethylamino)propylamino]-4-ethyl-1H-pyrimidin-6-one
CID 136779917
N-(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)nitramide
CID 136668766
2-[[(2S)-oxolan-2-yl]methylamino]-4-propan-2-yl-1H-pyrimidin-6-one
CID 136776171
(6-oxo-4-propan-2-yl-1H-pyrimidin-2-yl)thiourea
CID 135553588
2-(4-fluoroanilino)-4-propan-2-yl-1H-pyrimidin-6-one
CID 136740970

Frequently Asked Questions

What is the IUPAC name of 2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one (CID 136779799) is 2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one is CCCCNc1nc(C(C)C)cc(=O)[nH]1.
What is the InChIKey of 2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is YLIHNEIYNRAUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-5-6-12-11-13-9(8(2)3)7-10(15)14-11/h7-8H,4-6H2,1-3H3,(H2,12,13,14,15).
What are the key properties of 2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one?
2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 209.29 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(butylamino)-4-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 136779799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).