2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid

C10H10F2N2O2 — CID 64986088

IUPAC2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCC2)nc1C(F)F
InChIInChI=1S/C10H10F2N2O2/c11-8(12)7-6(10(15)16)4-13-9(14-7)5-2-1-3-5/h4-5,8H,1-3H2,(H,15,16)
InChIKeyBYNZOKJGIMPTCN-UHFFFAOYSA-N
MW228.20 g/mol
LogP2.38
Rot. Bonds3

About 2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid

2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid (PubChem CID 64986088) has the molecular formula C10H10F2N2O2 and a molecular weight of 228.20 g/mol. Its IUPAC name is 2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid
PubChem CID64986088
Molecular FormulaC10H10F2N2O2
Molecular Weight228.20 g/mol
Exact Mass228.07
IUPAC Name2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cnc(C2CCC2)nc1C(F)F
InChIInChI=1S/C10H10F2N2O2/c11-8(12)7-6(10(15)16)4-13-9(14-7)5-2-1-3-5/h4-5,8H,1-3H2,(H,15,16)
InChIKeyBYNZOKJGIMPTCN-UHFFFAOYSA-N
XLogP2.38
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.20
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(difluoromethyl)-2-(3-methylcyclopentyl)pyrimidine-5-carboxylic acid
CID 65415025
2-cyclobutyl-4-methylsulfanylpyrimidine-5-carboxylic acid
CID 83852465
2-cycloheptyl-4-(difluoromethyl)pyrimidin-5-amine
CID 114207293
4-(difluoromethyl)-2-(methylamino)pyrimidine-5-carboxylic acid
CID 62892836
4-(difluoromethyl)-2-(4-ethylmorpholin-2-yl)pyrimidine-5-carboxylic acid
CID 79668892
4-propan-2-yl-2-(thian-2-yl)pyrimidine-5-carboxylic acid
CID 80638062
4-(difluoromethyl)-2-(1-methoxycyclobutyl)pyrimidine-5-carboxylic acid
CID 116728189
2-(4-bromo-2-cyclobutylpyrimidin-5-yl)acetic acid
CID 83852903
4-(difluoromethyl)-2-(1-methylpyrazol-4-yl)pyrimidine-5-carboxylic acid
CID 65197670
2-(4,4-dimethylcyclohexyl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 65390070
4-(difluoromethyl)-2-pyridin-4-ylpyrimidine-5-carboxylic acid
CID 62891095
4-(difluoromethyl)-2-(3,5-difluorophenyl)pyrimidine-5-carboxylic acid
CID 62890565

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid (CID 64986088) is 2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid is O=C(O)c1cnc(C2CCC2)nc1C(F)F.
What is the InChIKey of 2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid?
The InChIKey is BYNZOKJGIMPTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2/c11-8(12)7-6(10(15)16)4-13-9(14-7)5-2-1-3-5/h4-5,8H,1-3H2,(H,15,16).
What are the key properties of 2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid?
2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid has a molecular weight of 228.20 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-(difluoromethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 64986088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).