4-imidazol-1-yl-5-(3-methoxyphenyl)pyrimidine

C14H12N4O — CID 3235085

IUPAC4-imidazol-1-yl-5-(3-methoxyphenyl)pyrimidine
SMILESCOc1cccc(-c2cncnc2-n2ccnc2)c1
InChIInChI=1S/C14H12N4O/c1-19-12-4-2-3-11(7-12)13-8-16-9-17-14(13)18-6-5-15-10-18/h2-10H,1H3
InChIKeySOCLAGBUSCMGHL-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.34
Rot. Bonds3

About 4-imidazol-1-yl-5-(3-methoxyphenyl)pyrimidine

4-imidazol-1-yl-5-(3-methoxyphenyl)pyrimidine (PubChem CID 3235085) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-imidazol-1-yl-5-(3-methoxyphenyl)pyrimidine.

Molecular Properties

Compound Name4-imidazol-1-yl-5-(3-methoxyphenyl)pyrimidine
PubChem CID3235085
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4-imidazol-1-yl-5-(3-methoxyphenyl)pyrimidine
SMILESCOc1cccc(-c2cncnc2-n2ccnc2)c1
InChIInChI=1S/C14H12N4O/c1-19-12-4-2-3-11(7-12)13-8-16-9-17-14(13)18-6-5-15-10-18/h2-10H,1H3
InChIKeySOCLAGBUSCMGHL-UHFFFAOYSA-N
XLogP2.34
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-imidazol-1-yl-5-(3-methoxyphenyl)pyrimidine?
The IUPAC name of 4-imidazol-1-yl-5-(3-methoxyphenyl)pyrimidine (CID 3235085) is 4-imidazol-1-yl-5-(3-methoxyphenyl)pyrimidine.
What is the SMILES notation for 4-imidazol-1-yl-5-(3-methoxyphenyl)pyrimidine?
The canonical SMILES for 4-imidazol-1-yl-5-(3-methoxyphenyl)pyrimidine is COc1cccc(-c2cncnc2-n2ccnc2)c1.
What is the InChIKey of 4-imidazol-1-yl-5-(3-methoxyphenyl)pyrimidine?
The InChIKey is SOCLAGBUSCMGHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-19-12-4-2-3-11(7-12)13-8-16-9-17-14(13)18-6-5-15-10-18/h2-10H,1H3.
What are the key properties of 4-imidazol-1-yl-5-(3-methoxyphenyl)pyrimidine?
4-imidazol-1-yl-5-(3-methoxyphenyl)pyrimidine has a molecular weight of 252.28 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-imidazol-1-yl-5-(3-methoxyphenyl)pyrimidine is sourced from PubChem (CID 3235085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).