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

C13H23N3O — CID 137016485

IUPAC4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC(C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O/c1-8(2)10(5)7-14-11-6-12(17)16-13(15-11)9(3)4/h6,8-10H,7H2,1-5H3,(H2,14,15,16,17)
InChIKeyPUVVFGSEQUXZNL-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.60
Rot. Bonds5

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

4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one (PubChem CID 137016485) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
PubChem CID137016485
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one
SMILESCC(C)c1nc(NCC(C)C(C)C)cc(=O)[nH]1
InChIInChI=1S/C13H23N3O/c1-8(2)10(5)7-14-11-6-12(17)16-13(15-11)9(3)4/h6,8-10H,7H2,1-5H3,(H2,14,15,16,17)
InChIKeyPUVVFGSEQUXZNL-UHFFFAOYSA-N
XLogP2.60
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2,2-difluoroethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976580
4-(2-methoxypropylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136820290
4-[(2-cyclopropyl-2-hydroxyethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975670
4-[(2-amino-2-cyclopropylethyl)amino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136989480
2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetamide
CID 136973538
4-(2-methylsulfonylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136974229
methyl 2-[(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)amino]acetate
CID 136973721
4-(2-cyclopropylethylamino)-2-propan-2-yl-1H-pyrimidin-6-one
CID 136976147
4-[(1-aminocyclobutyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136869173
4-[(1-methylcyclopentyl)methylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 136975733
4-[2-(2-methylpropoxy)ethylamino]-2-propan-2-yl-1H-pyrimidin-6-one
CID 137016699
2-propan-2-yl-4-(1,3-thiazol-5-ylmethylamino)-1H-pyrimidin-6-one
CID 136977422

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The IUPAC name of 4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one (CID 137016485) is 4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one is CC(C)c1nc(NCC(C)C(C)C)cc(=O)[nH]1.
What is the InChIKey of 4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
The InChIKey is PUVVFGSEQUXZNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-8(2)10(5)7-14-11-6-12(17)16-13(15-11)9(3)4/h6,8-10H,7H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one?
4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one has a molecular weight of 237.35 g/mol, XLogP of 2.60, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dimethylbutylamino)-2-propan-2-yl-1H-pyrimidin-6-one is sourced from PubChem (CID 137016485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).