2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine

C13H19N3O — CID 82456453

IUPAC2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine
SMILESC=CCNc1cc(OCCC)nc(C2CC2)n1
InChIInChI=1S/C13H19N3O/c1-3-7-14-11-9-12(17-8-4-2)16-13(15-11)10-5-6-10/h3,9-10H,1,4-8H2,2H3,(H,14,15,16)
InChIKeyASRRALKYPGXELO-UHFFFAOYSA-N
MW233.31 g/mol
LogP2.74
Rot. Bonds7

About 2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine

2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine (PubChem CID 82456453) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine.

Molecular Properties

Compound Name2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine
PubChem CID82456453
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine
SMILESC=CCNc1cc(OCCC)nc(C2CC2)n1
InChIInChI=1S/C13H19N3O/c1-3-7-14-11-9-12(17-8-4-2)16-13(15-11)10-5-6-10/h3,9-10H,1,4-8H2,2H3,(H,14,15,16)
InChIKeyASRRALKYPGXELO-UHFFFAOYSA-N
XLogP2.74
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-but-3-enoxy-2-cyclopropyl-N-ethylpyrimidin-4-amine
CID 80966700
N-butyl-2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 82456448
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-dimethylpropane-1,3-diamine
CID 82456457
N-(2-cyclopropyl-6-propoxypyrimidin-4-yl)-N',N'-diethylpropane-1,3-diamine
CID 82456458
2-cyclopropyl-4-N-prop-2-enyl-6-propoxypyrimidine-4,5-diamine
CID 82456267
2-cyclopropyl-6-(2-ethoxyethoxy)-N-propylpyrimidin-4-amine
CID 80965945
N-(6-butoxy-2-cyclopropylpyrimidin-4-yl)-N',N'-diethylethane-1,2-diamine
CID 82456508
2-cyclohexyl-N-cyclopentyl-6-propoxypyrimidin-4-amine
CID 82458395
2-cyclopropyl-6-propoxypyrimidin-4-amine
CID 80965669
2-cyclopropyl-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 121206040
6-(2-butoxyethoxy)-2-cyclopropyl-N-propylpyrimidin-4-amine
CID 80955664
2-cyclopropyl-N-ethyl-6-(3-methylbut-3-enoxy)pyrimidin-4-amine
CID 114471097

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine?
The IUPAC name of 2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine (CID 82456453) is 2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine.
What is the SMILES notation for 2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine?
The canonical SMILES for 2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine is C=CCNc1cc(OCCC)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine?
The InChIKey is ASRRALKYPGXELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-7-14-11-9-12(17-8-4-2)16-13(15-11)10-5-6-10/h3,9-10H,1,4-8H2,2H3,(H,14,15,16).
What are the key properties of 2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine?
2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine has a molecular weight of 233.31 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-prop-2-enyl-6-propoxypyrimidin-4-amine is sourced from PubChem (CID 82456453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).