2-cyclohexa-1,5-dien-1-yl-5-(1-methylimidazol-4-yl)pyrimidine

C14H14N4 — CID 143961504

IUPAC2-cyclohexa-1,5-dien-1-yl-5-(1-methylimidazol-4-yl)pyrimidine
SMILESCn1cnc(-c2cnc(C3=CCCC=C3)nc2)c1
InChIInChI=1S/C14H14N4/c1-18-9-13(17-10-18)12-7-15-14(16-8-12)11-5-3-2-4-6-11/h3,5-10H,2,4H2,1H3
InChIKeyAXGGGNOPMYDKKI-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.61
Rot. Bonds2

About 2-cyclohexa-1,5-dien-1-yl-5-(1-methylimidazol-4-yl)pyrimidine

2-cyclohexa-1,5-dien-1-yl-5-(1-methylimidazol-4-yl)pyrimidine (PubChem CID 143961504) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-cyclohexa-1,5-dien-1-yl-5-(1-methylimidazol-4-yl)pyrimidine.

Molecular Properties

Compound Name2-cyclohexa-1,5-dien-1-yl-5-(1-methylimidazol-4-yl)pyrimidine
PubChem CID143961504
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name2-cyclohexa-1,5-dien-1-yl-5-(1-methylimidazol-4-yl)pyrimidine
SMILESCn1cnc(-c2cnc(C3=CCCC=C3)nc2)c1
InChIInChI=1S/C14H14N4/c1-18-9-13(17-10-18)12-7-15-14(16-8-12)11-5-3-2-4-6-11/h3,5-10H,2,4H2,1H3
InChIKeyAXGGGNOPMYDKKI-UHFFFAOYSA-N
XLogP2.61
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexa-1,5-dien-1-yl-5-(1-methylimidazol-4-yl)pyrimidine?
The IUPAC name of 2-cyclohexa-1,5-dien-1-yl-5-(1-methylimidazol-4-yl)pyrimidine (CID 143961504) is 2-cyclohexa-1,5-dien-1-yl-5-(1-methylimidazol-4-yl)pyrimidine.
What is the SMILES notation for 2-cyclohexa-1,5-dien-1-yl-5-(1-methylimidazol-4-yl)pyrimidine?
The canonical SMILES for 2-cyclohexa-1,5-dien-1-yl-5-(1-methylimidazol-4-yl)pyrimidine is Cn1cnc(-c2cnc(C3=CCCC=C3)nc2)c1.
What is the InChIKey of 2-cyclohexa-1,5-dien-1-yl-5-(1-methylimidazol-4-yl)pyrimidine?
The InChIKey is AXGGGNOPMYDKKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-18-9-13(17-10-18)12-7-15-14(16-8-12)11-5-3-2-4-6-11/h3,5-10H,2,4H2,1H3.
What are the key properties of 2-cyclohexa-1,5-dien-1-yl-5-(1-methylimidazol-4-yl)pyrimidine?
2-cyclohexa-1,5-dien-1-yl-5-(1-methylimidazol-4-yl)pyrimidine has a molecular weight of 238.29 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexa-1,5-dien-1-yl-5-(1-methylimidazol-4-yl)pyrimidine is sourced from PubChem (CID 143961504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).