5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine

C17H12F2N4 — CID 155779838

IUPAC5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
SMILESFc1ccc([C@@H]2C[C@H]2c2cnc(-c3ncccn3)nc2)cc1F
InChIInChI=1S/C17H12F2N4/c18-14-3-2-10(6-15(14)19)12-7-13(12)11-8-22-17(23-9-11)16-20-4-1-5-21-16/h1-6,8-9,12-13H,7H2/t12-,13-/m0/s1
InChIKeyGMQVWVXNCQKJQF-STQMWFEESA-N
MW310.31 g/mol
LogP3.48
Rot. Bonds3

About 5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine

5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine (PubChem CID 155779838) has the molecular formula C17H12F2N4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
PubChem CID155779838
Molecular FormulaC17H12F2N4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
SMILESFc1ccc([C@@H]2C[C@H]2c2cnc(-c3ncccn3)nc2)cc1F
InChIInChI=1S/C17H12F2N4/c18-14-3-2-10(6-15(14)19)12-7-13(12)11-8-22-17(23-9-11)16-20-4-1-5-21-16/h1-6,8-9,12-13H,7H2/t12-,13-/m0/s1
InChIKeyGMQVWVXNCQKJQF-STQMWFEESA-N
XLogP3.48
TPSA51.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(1R,2R)-2-[4-fluoro-3-(4-methylsulfonylpiperazin-1-yl)phenyl]cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780084
5-[2-[3-(3,4-difluoropyrrol-1-yl)-4,5-difluorophenyl]cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780326
5-[(1R,2S)-2-(3,4-difluoro-5-pyrrolidin-1-ylphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780081
5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780118
6-[2,3-difluoro-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]-2-oxa-6-azaspiro[3.3]heptane
CID 155779860
5-[2-(4-chloro-3-nitrophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 167407850
5-[(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropyl]-4-propan-2-yl-2-pyrimidin-2-ylpyrimidine
CID 155779881
1-[2,3-difluoro-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]phenyl]pyrazol-4-ol
CID 155780099
5-[2-[3-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-4,5-difluorophenyl]cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780323
2-chloro-N,N-dimethyl-5-[2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide
CID 155780337
2-chloro-N-methyl-5-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzamide
CID 155780354
5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155779965

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine (CID 155779838) is 5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine is Fc1ccc([C@@H]2C[C@H]2c2cnc(-c3ncccn3)nc2)cc1F.
What is the InChIKey of 5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine?
The InChIKey is GMQVWVXNCQKJQF-STQMWFEESA-N. The full InChI is InChI=1S/C17H12F2N4/c18-14-3-2-10(6-15(14)19)12-7-13(12)11-8-22-17(23-9-11)16-20-4-1-5-21-16/h1-6,8-9,12-13H,7H2/t12-,13-/m0/s1.
What are the key properties of 5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine?
5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine has a molecular weight of 310.31 g/mol, XLogP of 3.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 155779838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).