2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidine-5-carbaldehyde

C10H8F2N4O — CID 134531307

IUPAC2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidine-5-carbaldehyde
SMILESCc1ncn(-c2ncc(C=O)cn2)c1C(F)F
InChIInChI=1S/C10H8F2N4O/c1-6-8(9(11)12)16(5-15-6)10-13-2-7(4-17)3-14-10/h2-5,9H,1H3
InChIKeySJCHQAYZVDMFNZ-UHFFFAOYSA-N
MW238.20 g/mol
LogP1.72
Rot. Bonds3

About 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidine-5-carbaldehyde

2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidine-5-carbaldehyde (PubChem CID 134531307) has the molecular formula C10H8F2N4O and a molecular weight of 238.20 g/mol. Its IUPAC name is 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidine-5-carbaldehyde
PubChem CID134531307
Molecular FormulaC10H8F2N4O
Molecular Weight238.20 g/mol
Exact Mass238.07
IUPAC Name2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidine-5-carbaldehyde
SMILESCc1ncn(-c2ncc(C=O)cn2)c1C(F)F
InChIInChI=1S/C10H8F2N4O/c1-6-8(9(11)12)16(5-15-6)10-13-2-7(4-17)3-14-10/h2-5,9H,1H3
InChIKeySJCHQAYZVDMFNZ-UHFFFAOYSA-N
XLogP1.72
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.20
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidine-5-carbaldehyde?
The IUPAC name of 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidine-5-carbaldehyde (CID 134531307) is 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidine-5-carbaldehyde is Cc1ncn(-c2ncc(C=O)cn2)c1C(F)F.
What is the InChIKey of 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidine-5-carbaldehyde?
The InChIKey is SJCHQAYZVDMFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O/c1-6-8(9(11)12)16(5-15-6)10-13-2-7(4-17)3-14-10/h2-5,9H,1H3.
What are the key properties of 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidine-5-carbaldehyde?
2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidine-5-carbaldehyde has a molecular weight of 238.20 g/mol, XLogP of 1.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(difluoromethyl)-4-methylimidazol-1-yl]pyrimidine-5-carbaldehyde is sourced from PubChem (CID 134531307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).