N-cyclopropyl-4-ethoxypyrimidin-2-amine

C9H13N3O — CID 94830398

IUPACN-cyclopropyl-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC2CC2)n1
InChIInChI=1S/C9H13N3O/c1-2-13-8-5-6-10-9(12-8)11-7-3-4-7/h5-7H,2-4H2,1H3,(H,10,11,12)
InChIKeyNCJYLBGOAYFOGJ-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.45
Rot. Bonds4

About N-cyclopropyl-4-ethoxypyrimidin-2-amine

N-cyclopropyl-4-ethoxypyrimidin-2-amine (PubChem CID 94830398) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-cyclopropyl-4-ethoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-cyclopropyl-4-ethoxypyrimidin-2-amine
PubChem CID94830398
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-cyclopropyl-4-ethoxypyrimidin-2-amine
SMILESCCOc1ccnc(NC2CC2)n1
InChIInChI=1S/C9H13N3O/c1-2-13-8-5-6-10-9(12-8)11-7-3-4-7/h5-7H,2-4H2,1H3,(H,10,11,12)
InChIKeyNCJYLBGOAYFOGJ-UHFFFAOYSA-N
XLogP1.45
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-cyclopropyl-4-ethoxypyrimidin-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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-ethoxypyrimidin-2-amine?
The IUPAC name of N-cyclopropyl-4-ethoxypyrimidin-2-amine (CID 94830398) is N-cyclopropyl-4-ethoxypyrimidin-2-amine.
What is the SMILES notation for N-cyclopropyl-4-ethoxypyrimidin-2-amine?
The canonical SMILES for N-cyclopropyl-4-ethoxypyrimidin-2-amine is CCOc1ccnc(NC2CC2)n1.
What is the InChIKey of N-cyclopropyl-4-ethoxypyrimidin-2-amine?
The InChIKey is NCJYLBGOAYFOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-2-13-8-5-6-10-9(12-8)11-7-3-4-7/h5-7H,2-4H2,1H3,(H,10,11,12).
What are the key properties of N-cyclopropyl-4-ethoxypyrimidin-2-amine?
N-cyclopropyl-4-ethoxypyrimidin-2-amine has a molecular weight of 179.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-ethoxypyrimidin-2-amine is sourced from PubChem (CID 94830398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).