5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one

C13H23N3O — CID 166023376

IUPAC5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one
SMILESCC(C)NCC(Cc1cnc(=O)[nH]c1)C(C)C
InChIInChI=1S/C13H23N3O/c1-9(2)12(8-14-10(3)4)5-11-6-15-13(17)16-7-11/h6-7,9-10,12,14H,5,8H2,1-4H3,(H,15,16,17)
InChIKeyZWDGYOJSXSAXDX-UHFFFAOYSA-N
MW237.35 g/mol
LogP1.58
Rot. Bonds6

About 5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one

5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one (PubChem CID 166023376) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is 5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one
PubChem CID166023376
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one
SMILESCC(C)NCC(Cc1cnc(=O)[nH]c1)C(C)C
InChIInChI=1S/C13H23N3O/c1-9(2)12(8-14-10(3)4)5-11-6-15-13(17)16-7-11/h6-7,9-10,12,14H,5,8H2,1-4H3,(H,15,16,17)
InChIKeyZWDGYOJSXSAXDX-UHFFFAOYSA-N
XLogP1.58
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-2-[(1-methylpyrazol-4-yl)methyl]-N-propan-2-ylbutan-1-amine
CID 62530134
2-[(2,6-dimethyl-4-pyridinyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine;ethane
CID 156850143
2-[(4-iodophenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 65489905
2-[(1-ethylpyrazol-4-yl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 55082915
3-methyl-2-[(3-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529354
3-methyl-2-[(2-methylphenyl)methyl]-N-propan-2-ylbutan-1-amine
CID 62529551
2-[(3-fluoro-4-methoxyphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 62528167
2-[(2,5-dimethylphenyl)methyl]-3-methyl-N-propan-2-ylbutan-1-amine
CID 63522041
2-(1,3-benzothiazol-2-ylmethyl)-3-methyl-N-propan-2-ylbutan-1-amine
CID 104631808
N'-[1-(1H-imidazol-2-yl)ethyl]-2-propan-2-ylpropane-1,3-diamine
CID 107442813
N,3-dimethyl-2-(1H-pyrrol-3-ylmethyl)butan-1-amine
CID 116931194
N-(2-benzyl-3-methylbutyl)-2-(6-methyl-3-pyridinyl)acetamide
CID 119045231

Frequently Asked Questions

What is the IUPAC name of 5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one?
The IUPAC name of 5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one (CID 166023376) is 5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one?
The canonical SMILES for 5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one is CC(C)NCC(Cc1cnc(=O)[nH]c1)C(C)C.
What is the InChIKey of 5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one?
The InChIKey is ZWDGYOJSXSAXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-9(2)12(8-14-10(3)4)5-11-6-15-13(17)16-7-11/h6-7,9-10,12,14H,5,8H2,1-4H3,(H,15,16,17).
What are the key properties of 5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one?
5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one has a molecular weight of 237.35 g/mol, XLogP of 1.58, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-methyl-2-[(propan-2-ylamino)methyl]butyl]-1H-pyrimidin-2-one is sourced from PubChem (CID 166023376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).