2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine

C9H10ClF2N3 — CID 131075383

IUPAC2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1N1CCC(F)(F)C1
InChIInChI=1S/C9H10ClF2N3/c1-6-4-13-8(10)14-7(6)15-3-2-9(11,12)5-15/h4H,2-3,5H2,1H3
InChIKeyAAELUCVTUDOARV-UHFFFAOYSA-N
MW233.65 g/mol
LogP2.28
Rot. Bonds1

About 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine

2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine (PubChem CID 131075383) has the molecular formula C9H10ClF2N3 and a molecular weight of 233.65 g/mol. Its IUPAC name is 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine.

Molecular Properties

Compound Name2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine
PubChem CID131075383
Molecular FormulaC9H10ClF2N3
Molecular Weight233.65 g/mol
Exact Mass233.05
IUPAC Name2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine
SMILESCc1cnc(Cl)nc1N1CCC(F)(F)C1
InChIInChI=1S/C9H10ClF2N3/c1-6-4-13-8(10)14-7(6)15-3-2-9(11,12)5-15/h4H,2-3,5H2,1H3
InChIKeyAAELUCVTUDOARV-UHFFFAOYSA-N
XLogP2.28
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.65
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(2-chloro-5-methylpyrimidin-4-yl)-2,2-dimethylmorpholine
CID 79075234
1-(2-chloro-5-methylpyrimidin-4-yl)-4-methylazepan-4-ol
CID 107405881
2-chloro-4-(4-methoxypiperidin-1-yl)-5-methylpyrimidine
CID 79075665
2,4-bis(3,3-dimethylpyrrolidin-1-yl)-5-methylpyrimidine
CID 133349392
2-chloro-4-(4,4-dimethylpiperidin-1-yl)-5-fluoropyrimidine
CID 79081860
1-(2-chloro-5-methylpyrimidin-4-yl)-3-methylpiperidin-4-ol
CID 114679717
2-chloro-5-methyl-4-(4-piperidin-1-ylpiperidin-1-yl)pyrimidine
CID 79076184
2-chloro-4-(3,3-diethylpyrrolidin-1-yl)pyrimidin-5-amine
CID 114043901
4-(3,3-difluoropyrrolidin-1-yl)-6-methylquinazoline
CID 136520741
7-(2-chloro-5-methylpyrimidin-4-yl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazine
CID 79073104
2-chloro-4-[4-(3-chlorophenyl)piperazin-1-yl]-5-methylpyrimidine
CID 79075282
2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine
CID 79632418

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine?
The IUPAC name of 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine (CID 131075383) is 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine.
What is the SMILES notation for 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine?
The canonical SMILES for 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine is Cc1cnc(Cl)nc1N1CCC(F)(F)C1.
What is the InChIKey of 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine?
The InChIKey is AAELUCVTUDOARV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClF2N3/c1-6-4-13-8(10)14-7(6)15-3-2-9(11,12)5-15/h4H,2-3,5H2,1H3.
What are the key properties of 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine?
2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine has a molecular weight of 233.65 g/mol, XLogP of 2.28, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3,3-difluoropyrrolidin-1-yl)-5-methylpyrimidine is sourced from PubChem (CID 131075383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).