4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine

C10H13ClN4O — CID 54518128

IUPAC4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine
SMILESCOc1nc(C)nc(Cl)c1CC1=NCCN1
InChIInChI=1S/C10H13ClN4O/c1-6-14-9(11)7(10(15-6)16-2)5-8-12-3-4-13-8/h3-5H2,1-2H3,(H,12,13)
InChIKeyYNVPTDIFSXKVPG-UHFFFAOYSA-N
MW240.69 g/mol
LogP0.99
Rot. Bonds3

About 4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine

4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine (PubChem CID 54518128) has the molecular formula C10H13ClN4O and a molecular weight of 240.69 g/mol. Its IUPAC name is 4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine
PubChem CID54518128
Molecular FormulaC10H13ClN4O
Molecular Weight240.69 g/mol
Exact Mass240.08
IUPAC Name4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine
SMILESCOc1nc(C)nc(Cl)c1CC1=NCCN1
InChIInChI=1S/C10H13ClN4O/c1-6-14-9(11)7(10(15-6)16-2)5-8-12-3-4-13-8/h3-5H2,1-2H3,(H,12,13)
InChIKeyYNVPTDIFSXKVPG-UHFFFAOYSA-N
XLogP0.99
TPSA59.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.69
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine 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-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine?
The IUPAC name of 4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine (CID 54518128) is 4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine?
The canonical SMILES for 4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine is COc1nc(C)nc(Cl)c1CC1=NCCN1.
What is the InChIKey of 4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine?
The InChIKey is YNVPTDIFSXKVPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN4O/c1-6-14-9(11)7(10(15-6)16-2)5-8-12-3-4-13-8/h3-5H2,1-2H3,(H,12,13).
What are the key properties of 4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine?
4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine has a molecular weight of 240.69 g/mol, XLogP of 0.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(4,5-dihydro-1H-imidazol-2-ylmethyl)-6-methoxy-2-methylpyrimidine is sourced from PubChem (CID 54518128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).