4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine

C12H15ClN4O — CID 66140877

IUPAC4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine
SMILESCCCn1cncc1-c1nc(Cl)cc(COC)n1
InChIInChI=1S/C12H15ClN4O/c1-3-4-17-8-14-6-10(17)12-15-9(7-18-2)5-11(13)16-12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyLECHPVKHJAEDTO-UHFFFAOYSA-N
MW266.73 g/mol
LogP2.55
Rot. Bonds5

About 4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine

4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine (PubChem CID 66140877) has the molecular formula C12H15ClN4O and a molecular weight of 266.73 g/mol. Its IUPAC name is 4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine
PubChem CID66140877
Molecular FormulaC12H15ClN4O
Molecular Weight266.73 g/mol
Exact Mass266.09
IUPAC Name4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine
SMILESCCCn1cncc1-c1nc(Cl)cc(COC)n1
InChIInChI=1S/C12H15ClN4O/c1-3-4-17-8-14-6-10(17)12-15-9(7-18-2)5-11(13)16-12/h5-6,8H,3-4,7H2,1-2H3
InChIKeyLECHPVKHJAEDTO-UHFFFAOYSA-N
XLogP2.55
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.73
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine 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-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine?
The IUPAC name of 4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine (CID 66140877) is 4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine?
The canonical SMILES for 4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine is CCCn1cncc1-c1nc(Cl)cc(COC)n1.
What is the InChIKey of 4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine?
The InChIKey is LECHPVKHJAEDTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O/c1-3-4-17-8-14-6-10(17)12-15-9(7-18-2)5-11(13)16-12/h5-6,8H,3-4,7H2,1-2H3.
What are the key properties of 4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine?
4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine has a molecular weight of 266.73 g/mol, XLogP of 2.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(methoxymethyl)-2-(3-propylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 66140877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).