4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine

C14H15N3O — CID 118709184

IUPAC4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2C2CC2)cc1
InChIInChI=1S/C14H15N3O/c1-18-11-6-4-9(5-7-11)12-8-16-14(15)17-13(12)10-2-3-10/h4-8,10H,2-3H2,1H3,(H2,15,16,17)
InChIKeyXGILCENQRLMGMX-UHFFFAOYSA-N
MW241.29 g/mol
LogP2.61
Rot. Bonds3

About 4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine

4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine (PubChem CID 118709184) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is 4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine
PubChem CID118709184
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine
SMILESCOc1ccc(-c2cnc(N)nc2C2CC2)cc1
InChIInChI=1S/C14H15N3O/c1-18-11-6-4-9(5-7-11)12-8-16-14(15)17-13(12)10-2-3-10/h4-8,10H,2-3H2,1H3,(H2,15,16,17)
InChIKeyXGILCENQRLMGMX-UHFFFAOYSA-N
XLogP2.61
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-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 4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine?
The IUPAC name of 4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine (CID 118709184) is 4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine is COc1ccc(-c2cnc(N)nc2C2CC2)cc1.
What is the InChIKey of 4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine?
The InChIKey is XGILCENQRLMGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O/c1-18-11-6-4-9(5-7-11)12-8-16-14(15)17-13(12)10-2-3-10/h4-8,10H,2-3H2,1H3,(H2,15,16,17).
What are the key properties of 4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine?
4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine has a molecular weight of 241.29 g/mol, XLogP of 2.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-(4-methoxyphenyl)pyrimidin-2-amine is sourced from PubChem (CID 118709184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).