2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine

C16H17F2N3 — CID 125000961

IUPAC2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
SMILESCc1ccnc([C@@H]2CCN(Cc3cccc(F)c3F)C2)n1
InChIInChI=1S/C16H17F2N3/c1-11-5-7-19-16(20-11)13-6-8-21(10-13)9-12-3-2-4-14(17)15(12)18/h2-5,7,13H,6,8-10H2,1H3/t13-/m1/s1
InChIKeyRZLHTMCOBQBBON-CYBMUJFWSA-N
MW289.33 g/mol
LogP3.05
Rot. Bonds3

About 2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine

2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine (PubChem CID 125000961) has the molecular formula C16H17F2N3 and a molecular weight of 289.33 g/mol. Its IUPAC name is 2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine.

Molecular Properties

Compound Name2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
PubChem CID125000961
Molecular FormulaC16H17F2N3
Molecular Weight289.33 g/mol
Exact Mass289.14
IUPAC Name2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
SMILESCc1ccnc([C@@H]2CCN(Cc3cccc(F)c3F)C2)n1
InChIInChI=1S/C16H17F2N3/c1-11-5-7-19-16(20-11)13-6-8-21(10-13)9-12-3-2-4-14(17)15(12)18/h2-5,7,13H,6,8-10H2,1H3/t13-/m1/s1
InChIKeyRZLHTMCOBQBBON-CYBMUJFWSA-N
XLogP3.05
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.33
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3S)-1-[(2-fluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124953007
2-[1-[(2-methoxyphenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 118739859
N-methyl-3-[[(3S)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]pyridin-2-amine
CID 125026728
2-[(3S)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-1,4-dimethylimidazole
CID 124949205
4-methyl-2-[(3R)-1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 124947102
4-methyl-2-[1-[(1-methylpyrrol-2-yl)methyl]pyrrolidin-3-yl]pyrimidine
CID 110103691
4-methyl-2-[(3R)-1-(pyridin-2-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 124999909
1-methyl-2-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzimidazole
CID 125023444
2-[(3R)-1-[2-(4-fluorophenoxy)ethyl]pyrrolidin-3-yl]-4-methylpyrimidine
CID 124958305
4-methyl-2-[(3S)-1-(thiophen-3-ylmethyl)pyrrolidin-3-yl]pyrimidine
CID 129406988
4-[[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]methyl]benzoic acid
CID 125003047
2-[(3R)-3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]acetic acid
CID 124954393

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine?
The IUPAC name of 2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine (CID 125000961) is 2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine.
What is the SMILES notation for 2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine?
The canonical SMILES for 2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine is Cc1ccnc([C@@H]2CCN(Cc3cccc(F)c3F)C2)n1.
What is the InChIKey of 2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine?
The InChIKey is RZLHTMCOBQBBON-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H17F2N3/c1-11-5-7-19-16(20-11)13-6-8-21(10-13)9-12-3-2-4-14(17)15(12)18/h2-5,7,13H,6,8-10H2,1H3/t13-/m1/s1.
What are the key properties of 2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine?
2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine has a molecular weight of 289.33 g/mol, XLogP of 3.05, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-[(2,3-difluorophenyl)methyl]pyrrolidin-3-yl]-4-methylpyrimidine is sourced from PubChem (CID 125000961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).