4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine

C11H14ClN5O — CID 12893578

IUPAC4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine
SMILESCOc1nc(C2CC2)nc(Cl)c1NC1=NCCN1
InChIInChI=1S/C11H14ClN5O/c1-18-10-7(15-11-13-4-5-14-11)8(12)16-9(17-10)6-2-3-6/h6H,2-5H2,1H3,(H2,13,14,15)
InChIKeyOFIUTXIBMFHVGA-UHFFFAOYSA-N
MW267.72 g/mol
LogP1.39
Rot. Bonds3

About 4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine

4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine (PubChem CID 12893578) has the molecular formula C11H14ClN5O and a molecular weight of 267.72 g/mol. Its IUPAC name is 4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine
PubChem CID12893578
Molecular FormulaC11H14ClN5O
Molecular Weight267.72 g/mol
Exact Mass267.09
IUPAC Name4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine
SMILESCOc1nc(C2CC2)nc(Cl)c1NC1=NCCN1
InChIInChI=1S/C11H14ClN5O/c1-18-10-7(15-11-13-4-5-14-11)8(12)16-9(17-10)6-2-3-6/h6H,2-5H2,1H3,(H2,13,14,15)
InChIKeyOFIUTXIBMFHVGA-UHFFFAOYSA-N
XLogP1.39
TPSA71.43 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.72
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-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-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine?
The IUPAC name of 4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine (CID 12893578) is 4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine.
What is the SMILES notation for 4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine?
The canonical SMILES for 4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine is COc1nc(C2CC2)nc(Cl)c1NC1=NCCN1.
What is the InChIKey of 4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine?
The InChIKey is OFIUTXIBMFHVGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O/c1-18-10-7(15-11-13-4-5-14-11)8(12)16-9(17-10)6-2-3-6/h6H,2-5H2,1H3,(H2,13,14,15).
What are the key properties of 4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine?
4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine has a molecular weight of 267.72 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-cyclopropyl-N-(4,5-dihydro-1H-imidazol-2-yl)-6-methoxypyrimidin-5-amine is sourced from PubChem (CID 12893578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).