5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine

C19H17FN4O2 — CID 155780118

IUPAC5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
SMILESCOc1cc([C@H]2C[C@H]2c2cnc(-c3ncccn3)nc2)cc(OC)c1F
InChIInChI=1S/C19H17FN4O2/c1-25-15-6-11(7-16(26-2)17(15)20)13-8-14(13)12-9-23-19(24-10-12)18-21-4-3-5-22-18/h3-7,9-10,13-14H,8H2,1-2H3/t13-,14+/m1/s1
InChIKeyGZPPTHZIAMUHRU-KGLIPLIRSA-N
MW352.37 g/mol
LogP3.36
Rot. Bonds5

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

5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine (PubChem CID 155780118) has the molecular formula C19H17FN4O2 and a molecular weight of 352.37 g/mol. Its IUPAC name is 5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
PubChem CID155780118
Molecular FormulaC19H17FN4O2
Molecular Weight352.37 g/mol
Exact Mass352.13
IUPAC Name5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
SMILESCOc1cc([C@H]2C[C@H]2c2cnc(-c3ncccn3)nc2)cc(OC)c1F
InChIInChI=1S/C19H17FN4O2/c1-25-15-6-11(7-16(26-2)17(15)20)13-8-14(13)12-9-23-19(24-10-12)18-21-4-3-5-22-18/h3-7,9-10,13-14H,8H2,1-2H3/t13-,14+/m1/s1
InChIKeyGZPPTHZIAMUHRU-KGLIPLIRSA-N
XLogP3.36
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[2-(4-fluoro-3-methoxy-5-methylphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780306
2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine
CID 155780225
5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155779965
5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-4-ylpyrimidine
CID 155779857
5-[(1R,2S)-2-[3,4-difluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155779847
5-[2-[3-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-4,5-difluorophenyl]cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780323
5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155779838
5-[(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropyl]-4-propan-2-yl-2-pyrimidin-2-ylpyrimidine
CID 155779881
5-[(1R,2S)-2-(3,4-difluoro-5-pyrrolidin-1-ylphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780081
5-[(1R,2S)-2-[3,4-difluoro-5-[3-(2-methoxyethoxy)azetidin-1-yl]phenyl]cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780186
4-fluoro-1-(3-methoxypropyl)-6-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzimidazole
CID 155780214
5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155779917

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine (CID 155780118) is 5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine is COc1cc([C@H]2C[C@H]2c2cnc(-c3ncccn3)nc2)cc(OC)c1F.
What is the InChIKey of 5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine?
The InChIKey is GZPPTHZIAMUHRU-KGLIPLIRSA-N. The full InChI is InChI=1S/C19H17FN4O2/c1-25-15-6-11(7-16(26-2)17(15)20)13-8-14(13)12-9-23-19(24-10-12)18-21-4-3-5-22-18/h3-7,9-10,13-14H,8H2,1-2H3/t13-,14+/m1/s1.
What are the key properties of 5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine?
5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine has a molecular weight of 352.37 g/mol, XLogP of 3.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 155780118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).