3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine

C12H21N3 — CID 62744746

IUPAC3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1ncnc(C)c1CCCNC(C)C
InChIInChI=1S/C12H21N3/c1-9(2)13-7-5-6-12-10(3)14-8-15-11(12)4/h8-9,13H,5-7H2,1-4H3
InChIKeyNOVNKEKKJIQNQK-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.02
Rot. Bonds5

About 3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine

3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine (PubChem CID 62744746) has the molecular formula C12H21N3 and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
PubChem CID62744746
Molecular FormulaC12H21N3
Molecular Weight207.32 g/mol
Exact Mass207.17
IUPAC Name3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
SMILESCc1ncnc(C)c1CCCNC(C)C
InChIInChI=1S/C12H21N3/c1-9(2)13-7-5-6-12-10(3)14-8-15-11(12)4/h8-9,13H,5-7H2,1-4H3
InChIKeyNOVNKEKKJIQNQK-UHFFFAOYSA-N
XLogP2.02
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine 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-(4,6-dimethyl-2-propylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62744572
3-(4,6-dimethyl-2-phenylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62746667
3-[2-(1-methoxyethyl)-4,6-dimethylpyrimidin-5-yl]-N-propan-2-ylpropan-1-amine
CID 79605208
3-(5-methyl-1H-imidazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 114995817
3-(2-cyclobutyl-4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 64985851
3-(4,6-dimethyl-2-pyridin-3-ylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine
CID 62744216
3-(2,6-dimethoxyphenyl)-N-propan-2-ylpropan-1-amine
CID 116811061
3-(3,5-dimethyl-1-propylpyrazol-4-yl)-N-propan-2-ylpropan-1-amine
CID 79225845
N-[2-(2-butyl-4,6-dimethylpyrimidin-5-yl)ethyl]propan-2-amine
CID 79412386
3-(5-methyl-3-pyridinyl)-N-propan-2-ylpropan-1-amine
CID 115375282
3-phenyl-N-propan-2-ylpropan-1-amine
CID 11412689
3-(3-methoxypyrazin-2-yl)-N-propan-2-ylpropan-1-amine
CID 104516398

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The IUPAC name of 3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine (CID 62744746) is 3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine is Cc1ncnc(C)c1CCCNC(C)C.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
The InChIKey is NOVNKEKKJIQNQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3/c1-9(2)13-7-5-6-12-10(3)14-8-15-11(12)4/h8-9,13H,5-7H2,1-4H3.
What are the key properties of 3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine?
3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-5-yl)-N-propan-2-ylpropan-1-amine is sourced from PubChem (CID 62744746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).