2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine

C19H15F2N3O — CID 155780225

IUPAC2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine
SMILESCOc1cc([C@H]2C[C@H]2c2ccc(-c3ncccn3)nc2)cc(F)c1F
InChIInChI=1S/C19H15F2N3O/c1-25-17-8-12(7-15(20)18(17)21)14-9-13(14)11-3-4-16(24-10-11)19-22-5-2-6-23-19/h2-8,10,13-14H,9H2,1H3/t13-,14+/m0/s1
InChIKeyAFJMJBUXBHLOAM-UONOGXRCSA-N
MW339.35 g/mol
LogP4.10
Rot. Bonds4

About 2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine

2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine (PubChem CID 155780225) has the molecular formula C19H15F2N3O and a molecular weight of 339.35 g/mol. Its IUPAC name is 2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine.

Molecular Properties

Compound Name2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine
PubChem CID155780225
Molecular FormulaC19H15F2N3O
Molecular Weight339.35 g/mol
Exact Mass339.12
IUPAC Name2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine
SMILESCOc1cc([C@H]2C[C@H]2c2ccc(-c3ncccn3)nc2)cc(F)c1F
InChIInChI=1S/C19H15F2N3O/c1-25-17-8-12(7-15(20)18(17)21)14-9-13(14)11-3-4-16(24-10-11)19-22-5-2-6-23-19/h2-8,10,13-14H,9H2,1H3/t13-,14+/m0/s1
InChIKeyAFJMJBUXBHLOAM-UONOGXRCSA-N
XLogP4.10
TPSA47.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.35
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-4-ylpyrimidine
CID 155779857
5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780118
5-[2-(4-fluoro-3-methoxy-5-methylphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780306
trans-(1S,2R)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 56654365
trans-(1R,2S)-2-[6-(3,4-difluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 66714534
4-[2-(4-fluoro-3-methoxyphenyl)cyclopropyl]-1-pyrimidin-2-ylisoquinoline
CID 155780251
5-[(1R,2S)-2-[3,4-difluoro-5-[(3S)-oxolan-3-yl]oxyphenyl]cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155779847
5-[(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropyl]-4-propan-2-yl-2-pyrimidin-2-ylpyrimidine
CID 155779881
2-[6-(3-chloro-4-fluoro-5-methoxyphenyl)-3-pyridinyl]cyclopropan-1-amine
CID 66715399
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
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 2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine?
The IUPAC name of 2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine (CID 155780225) is 2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine.
What is the SMILES notation for 2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine?
The canonical SMILES for 2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine is COc1cc([C@H]2C[C@H]2c2ccc(-c3ncccn3)nc2)cc(F)c1F.
What is the InChIKey of 2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine?
The InChIKey is AFJMJBUXBHLOAM-UONOGXRCSA-N. The full InChI is InChI=1S/C19H15F2N3O/c1-25-17-8-12(7-15(20)18(17)21)14-9-13(14)11-3-4-16(24-10-11)19-22-5-2-6-23-19/h2-8,10,13-14H,9H2,1H3/t13-,14+/m0/s1.
What are the key properties of 2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine?
2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine has a molecular weight of 339.35 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1R,2S)-2-(3,4-difluoro-5-methoxyphenyl)cyclopropyl]-2-pyridinyl]pyrimidine is sourced from PubChem (CID 155780225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).