5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine

C18H14ClFN4O — CID 155779965

IUPAC5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
SMILESCOc1cc([C@@H]2C[C@H]2c2cnc(-c3ncccn3)nc2)c(F)cc1Cl
InChIInChI=1S/C18H14ClFN4O/c1-25-16-6-13(15(20)7-14(16)19)12-5-11(12)10-8-23-18(24-9-10)17-21-3-2-4-22-17/h2-4,6-9,11-12H,5H2,1H3/t11-,12+/m0/s1
InChIKeyBXCWCYLKWQGGKD-NWDGAFQWSA-N
MW356.79 g/mol
LogP4.01
Rot. Bonds4

About 5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine

5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine (PubChem CID 155779965) has the molecular formula C18H14ClFN4O and a molecular weight of 356.79 g/mol. Its IUPAC name is 5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
PubChem CID155779965
Molecular FormulaC18H14ClFN4O
Molecular Weight356.79 g/mol
Exact Mass356.08
IUPAC Name5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
SMILESCOc1cc([C@@H]2C[C@H]2c2cnc(-c3ncccn3)nc2)c(F)cc1Cl
InChIInChI=1S/C18H14ClFN4O/c1-25-16-6-13(15(20)7-14(16)19)12-5-11(12)10-8-23-18(24-9-10)17-21-3-2-4-22-17/h2-4,6-9,11-12H,5H2,1H3/t11-,12+/m0/s1
InChIKeyBXCWCYLKWQGGKD-NWDGAFQWSA-N
XLogP4.01
TPSA60.79 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.79
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine with MolForge

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Related Compounds

5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780118
5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155779917
5-[2-(4-fluoro-3-methoxy-5-methylphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780306
5-[(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropyl]-4-propan-2-yl-2-pyrimidin-2-ylpyrimidine
CID 155779881
5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155779838
5-[2-[3-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-4,5-difluorophenyl]cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780323
2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine
CID 155780225
4-[2-(4-fluoro-3-methoxyphenyl)cyclopropyl]-1-pyrimidin-2-ylisoquinoline
CID 155780251
4-fluoro-1-(3-methoxypropyl)-6-[(1R,2R)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]benzimidazole
CID 155780214
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
5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-4-ylpyrimidine
CID 155779857

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine (CID 155779965) is 5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine is COc1cc([C@@H]2C[C@H]2c2cnc(-c3ncccn3)nc2)c(F)cc1Cl.
What is the InChIKey of 5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine?
The InChIKey is BXCWCYLKWQGGKD-NWDGAFQWSA-N. The full InChI is InChI=1S/C18H14ClFN4O/c1-25-16-6-13(15(20)7-14(16)19)12-5-11(12)10-8-23-18(24-9-10)17-21-3-2-4-22-17/h2-4,6-9,11-12H,5H2,1H3/t11-,12+/m0/s1.
What are the key properties of 5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine?
5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine has a molecular weight of 356.79 g/mol, XLogP of 4.01, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 155779965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).