4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine

C10H15N3O — CID 112637442

IUPAC4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nccc(OC(C)C)n1
InChIInChI=1S/C10H15N3O/c1-4-6-11-10-12-7-5-9(13-10)14-8(2)3/h4-5,7-8H,1,6H2,2-3H3,(H,11,12,13)
InChIKeyJYNJMZBOWJUYTA-UHFFFAOYSA-N
MW193.25 g/mol
LogP1.86
Rot. Bonds5

About 4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine

4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine (PubChem CID 112637442) has the molecular formula C10H15N3O and a molecular weight of 193.25 g/mol. Its IUPAC name is 4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine.

Molecular Properties

Compound Name4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine
PubChem CID112637442
Molecular FormulaC10H15N3O
Molecular Weight193.25 g/mol
Exact Mass193.12
IUPAC Name4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine
SMILESC=CCNc1nccc(OC(C)C)n1
InChIInChI=1S/C10H15N3O/c1-4-6-11-10-12-7-5-9(13-10)14-8(2)3/h4-5,7-8H,1,6H2,2-3H3,(H,11,12,13)
InChIKeyJYNJMZBOWJUYTA-UHFFFAOYSA-N
XLogP1.86
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.25
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-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

4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373
N-(4-methylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636998
N-[(4-aminophenyl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112638872
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638038
N'-(4-propan-2-yloxypyrimidin-2-yl)hexane-1,6-diamine
CID 114008164
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
N'-(4-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107323665
2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636067
N-[(5-methylthiophen-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637415
N-(2-chloro-2-cyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639309
N-[(5-methylfuran-2-yl)methyl]-4-propan-2-yloxypyrimidin-2-amine
CID 112637500

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine?
The IUPAC name of 4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine (CID 112637442) is 4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine.
What is the SMILES notation for 4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine?
The canonical SMILES for 4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine is C=CCNc1nccc(OC(C)C)n1.
What is the InChIKey of 4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine?
The InChIKey is JYNJMZBOWJUYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O/c1-4-6-11-10-12-7-5-9(13-10)14-8(2)3/h4-5,7-8H,1,6H2,2-3H3,(H,11,12,13).
What are the key properties of 4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine?
4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine has a molecular weight of 193.25 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine is sourced from PubChem (CID 112637442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).