2-cyclopropyl-4-(difluoromethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid

C10H10F2N2O2S — CID 43514420

IUPAC2-cyclopropyl-4-(difluoromethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(C2CC2)nc(SC(F)F)c1C(=O)O
InChIInChI=1S/C10H10F2N2O2S/c1-4-6(9(15)16)8(17-10(11)12)14-7(13-4)5-2-3-5/h5,10H,2-3H2,1H3,(H,15,16)
InChIKeyNUXMRKNOWCYCPK-UHFFFAOYSA-N
MW260.26 g/mol
LogP2.68
Rot. Bonds4

About 2-cyclopropyl-4-(difluoromethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid

2-cyclopropyl-4-(difluoromethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid (PubChem CID 43514420) has the molecular formula C10H10F2N2O2S and a molecular weight of 260.26 g/mol. Its IUPAC name is 2-cyclopropyl-4-(difluoromethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-4-(difluoromethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid
PubChem CID43514420
Molecular FormulaC10H10F2N2O2S
Molecular Weight260.26 g/mol
Exact Mass260.04
IUPAC Name2-cyclopropyl-4-(difluoromethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid
SMILESCc1nc(C2CC2)nc(SC(F)F)c1C(=O)O
InChIInChI=1S/C10H10F2N2O2S/c1-4-6(9(15)16)8(17-10(11)12)14-7(13-4)5-2-3-5/h5,10H,2-3H2,1H3,(H,15,16)
InChIKeyNUXMRKNOWCYCPK-UHFFFAOYSA-N
XLogP2.68
TPSA63.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Cyclopropyl-4-methyl-6-(methylsulfanyl)pyrimidine-5-carboxylic acid
CID 16227714
2-Tert-butyl-4-methyl-6-(methylsulfanyl)pyrimidine-5-carboxylic acid
CID 17492645
2-Cyclopropyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid
CID 43419884
4-(Difluoromethylsulfanyl)-6-methyl-2-propan-2-ylpyrimidine-5-carboxylic acid
CID 43513919
4-Methyl-2-propan-2-yl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid
CID 43513963
2,4-Dimethyl-6-[2-oxo-2-(2,2,2-trifluoroethylamino)ethyl]sulfanylpyrimidine-5-carboxylic acid
CID 43514163
4-(Difluoromethylsulfanyl)-2,6-dimethylpyrimidine-5-carboxylic acid
CID 43514175
2,4-Dimethyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid
CID 43514266
4-(Difluoromethylsulfanyl)-2-ethyl-6-methylpyrimidine-5-carboxylic acid
CID 43514318
2-Ethyl-4-methyl-6-(2,2,2-trifluoroethylsulfanyl)pyrimidine-5-carboxylic acid
CID 43514386
4-Methyl-2-propan-2-yl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid
CID 43625009
2,4-Dimethyl-6-(trifluoromethylsulfanyl)pyrimidine-5-carboxylic acid
CID 43625010

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-(difluoromethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclopropyl-4-(difluoromethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid (CID 43514420) is 2-cyclopropyl-4-(difluoromethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-4-(difluoromethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-4-(difluoromethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid is Cc1nc(C2CC2)nc(SC(F)F)c1C(=O)O.
What is the InChIKey of 2-cyclopropyl-4-(difluoromethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid?
The InChIKey is NUXMRKNOWCYCPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2N2O2S/c1-4-6(9(15)16)8(17-10(11)12)14-7(13-4)5-2-3-5/h5,10H,2-3H2,1H3,(H,15,16).
What are the key properties of 2-cyclopropyl-4-(difluoromethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid?
2-cyclopropyl-4-(difluoromethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid has a molecular weight of 260.26 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-(difluoromethylsulfanyl)-6-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 43514420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).