4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine

C17H20ClN3O2 — CID 51131874

IUPAC4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine
SMILESCOc1ccc(C2CCCN2c2cc(Cl)nc(C)n2)c(OC)c1
InChIInChI=1S/C17H20ClN3O2/c1-11-19-16(18)10-17(20-11)21-8-4-5-14(21)13-7-6-12(22-2)9-15(13)23-3/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeySHQKMZDDPKUSBP-UHFFFAOYSA-N
MW333.82 g/mol
LogP3.80
Rot. Bonds4

About 4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine

4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine (PubChem CID 51131874) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is 4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine
PubChem CID51131874
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC Name4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine
SMILESCOc1ccc(C2CCCN2c2cc(Cl)nc(C)n2)c(OC)c1
InChIInChI=1S/C17H20ClN3O2/c1-11-19-16(18)10-17(20-11)21-8-4-5-14(21)13-7-6-12(22-2)9-15(13)23-3/h6-7,9-10,14H,4-5,8H2,1-3H3
InChIKeySHQKMZDDPKUSBP-UHFFFAOYSA-N
XLogP3.80
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-2-cyclopropyl-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]pyrimidine
CID 133432242
2-[(2S)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-6-methylpyrimidine-4-carbonitrile
CID 125140665
3-tert-butyl-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-[1,2,4]triazolo[4,3-b]pyridazine
CID 133488719
5-[(2R)-2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-(methoxymethyl)-1,2,4-thiadiazole
CID 124890486
(2S)-2-(2,4-dimethoxyphenyl)-1-ethylpyrrolidine
CID 94709986
2-(2,4-dimethoxyphenyl)-1-[3-(4-methoxyphenoxy)propyl]pyrrolidine
CID 55409373
5-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-3-phenyl-1,2,4-thiadiazole
CID 133345318
6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-N-ethylpyridine-3-carboxamide
CID 133345289
1-(5-chlorothiophen-2-yl)sulfonyl-2-(2,4-dimethoxyphenyl)pyrrolidine
CID 24511085
6-[(2R)-2-(2,5-dimethoxyphenyl)pyrrolidin-1-yl]pyridine-3-carbonitrile
CID 51981722
4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129320611
4-[(2R)-2-(2-chloro-5-methoxyphenyl)azepan-1-yl]-6-methylpyrimidin-2-amine
CID 146193610

Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine?
The IUPAC name of 4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine (CID 51131874) is 4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine.
What is the SMILES notation for 4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine?
The canonical SMILES for 4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine is COc1ccc(C2CCCN2c2cc(Cl)nc(C)n2)c(OC)c1.
What is the InChIKey of 4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine?
The InChIKey is SHQKMZDDPKUSBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11-19-16(18)10-17(20-11)21-8-4-5-14(21)13-7-6-12(22-2)9-15(13)23-3/h6-7,9-10,14H,4-5,8H2,1-3H3.
What are the key properties of 4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine?
4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine has a molecular weight of 333.82 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-2-methylpyrimidine is sourced from PubChem (CID 51131874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).