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

C19H17ClN4O2 — CID 155779917

IUPAC5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
SMILESCOc1c(Cl)ccc([C@@H]2C[C@H]2c2cnc(-c3ncccn3)nc2)c1OC
InChIInChI=1S/C19H17ClN4O2/c1-25-16-12(4-5-15(20)17(16)26-2)14-8-13(14)11-9-23-19(24-10-11)18-21-6-3-7-22-18/h3-7,9-10,13-14H,8H2,1-2H3/t13-,14-/m0/s1
InChIKeyGGXPXZAWTBHHQC-KBPBESRZSA-N
MW368.82 g/mol
LogP3.88
Rot. Bonds5

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

5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine (PubChem CID 155779917) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine.

Molecular Properties

Compound Name5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
PubChem CID155779917
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
SMILESCOc1c(Cl)ccc([C@@H]2C[C@H]2c2cnc(-c3ncccn3)nc2)c1OC
InChIInChI=1S/C19H17ClN4O2/c1-25-16-12(4-5-15(20)17(16)26-2)14-8-13(14)11-9-23-19(24-10-11)18-21-6-3-7-22-18/h3-7,9-10,13-14H,8H2,1-2H3/t13-,14-/m0/s1
InChIKeyGGXPXZAWTBHHQC-KBPBESRZSA-N
XLogP3.88
TPSA70.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(1R,2R)-2-(4-chloro-2-fluoro-5-methoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155779965
5-[(1R,2S)-2-(4-fluoro-3,5-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780118
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
7-fluoro-1-(3-methoxypropyl)-4-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]indazole
CID 155779982
5-[2-(4-chloro-3-nitrophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 167407850
5-[2-(4-fluoro-3-methoxy-5-methylphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780306
5-[(1R,2R)-2-(3,4-difluorophenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155779838
3-[(1R,2S)-2-(2-pyrimidin-2-ylpyrimidin-5-yl)cyclopropyl]imidazo[1,2-a]pyridine
CID 155780047
5-[(1R,2S)-2-(4-fluoro-3-methoxyphenyl)cyclopropyl]-4-propan-2-yl-2-pyrimidin-2-ylpyrimidine
CID 155779881
5-[2-[3-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-4,5-difluorophenyl]cyclopropyl]-2-pyrimidin-2-ylpyrimidine
CID 155780323
4-(4-chloro-2,3-dimethoxyphenyl)piperidine
CID 117392507

Frequently Asked Questions

What is the IUPAC name of 5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine?
The IUPAC name of 5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine (CID 155779917) is 5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine.
What is the SMILES notation for 5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine?
The canonical SMILES for 5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine is COc1c(Cl)ccc([C@@H]2C[C@H]2c2cnc(-c3ncccn3)nc2)c1OC.
What is the InChIKey of 5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine?
The InChIKey is GGXPXZAWTBHHQC-KBPBESRZSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-25-16-12(4-5-15(20)17(16)26-2)14-8-13(14)11-9-23-19(24-10-11)18-21-6-3-7-22-18/h3-7,9-10,13-14H,8H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of 5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine?
5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine has a molecular weight of 368.82 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R,2R)-2-(4-chloro-2,3-dimethoxyphenyl)cyclopropyl]-2-pyrimidin-2-ylpyrimidine is sourced from PubChem (CID 155779917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).