4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid

C10H6F2N4O2 — CID 63987726

IUPAC4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccncn2)nc1C(F)F
InChIInChI=1S/C10H6F2N4O2/c11-8(12)7-5(10(17)18)3-14-9(16-7)6-1-2-13-4-15-6/h1-4,8H,(H,17,18)
InChIKeyGJHUZADHZPOBPN-UHFFFAOYSA-N
MW252.18 g/mol
LogP1.57
Rot. Bonds3

About 4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid

4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid (PubChem CID 63987726) has the molecular formula C10H6F2N4O2 and a molecular weight of 252.18 g/mol. Its IUPAC name is 4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid
PubChem CID63987726
Molecular FormulaC10H6F2N4O2
Molecular Weight252.18 g/mol
Exact Mass252.05
IUPAC Name4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(-c2ccncn2)nc1C(F)F
InChIInChI=1S/C10H6F2N4O2/c11-8(12)7-5(10(17)18)3-14-9(16-7)6-1-2-13-4-15-6/h1-4,8H,(H,17,18)
InChIKeyGJHUZADHZPOBPN-UHFFFAOYSA-N
XLogP1.57
TPSA88.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.18
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid?
The IUPAC name of 4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid (CID 63987726) is 4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid is O=C(O)c1cnc(-c2ccncn2)nc1C(F)F.
What is the InChIKey of 4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid?
The InChIKey is GJHUZADHZPOBPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F2N4O2/c11-8(12)7-5(10(17)18)3-14-9(16-7)6-1-2-13-4-15-6/h1-4,8H,(H,17,18).
What are the key properties of 4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid?
4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid has a molecular weight of 252.18 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)-2-pyrimidin-4-ylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 63987726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).