4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine

C18H22ClN3 — CID 95789765

IUPAC4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine
SMILESCC[C@@H](c1ccccc1)[C@@H]1CCCN1c1cc(Cl)nc(C)n1
InChIInChI=1S/C18H22ClN3/c1-3-15(14-8-5-4-6-9-14)16-10-7-11-22(16)18-12-17(19)20-13(2)21-18/h4-6,8-9,12,15-16H,3,7,10-11H2,1-2H3/t15-,16-/m0/s1
InChIKeyJMCCOLNASMVXQJ-HOTGVXAUSA-N
MW315.85 g/mol
LogP4.60
Rot. Bonds4

About 4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine

4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine (PubChem CID 95789765) has the molecular formula C18H22ClN3 and a molecular weight of 315.85 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine
PubChem CID95789765
Molecular FormulaC18H22ClN3
Molecular Weight315.85 g/mol
Exact Mass315.15
IUPAC Name4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine
SMILESCC[C@@H](c1ccccc1)[C@@H]1CCCN1c1cc(Cl)nc(C)n1
InChIInChI=1S/C18H22ClN3/c1-3-15(14-8-5-4-6-9-14)16-10-7-11-22(16)18-12-17(19)20-13(2)21-18/h4-6,8-9,12,15-16H,3,7,10-11H2,1-2H3/t15-,16-/m0/s1
InChIKeyJMCCOLNASMVXQJ-HOTGVXAUSA-N
XLogP4.60
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.85
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(6-chloro-2-methylpyrimidin-4-yl)pyrrolidin-2-yl]ethanol
CID 121201735
(1R)-1-[(2S)-1-(6-chloro-2-methylpyrimidin-4-yl)piperidin-2-yl]ethanol
CID 129499743
2-[4-(6-chloro-2-methylpyrimidin-4-yl)morpholin-3-yl]-1-phenylethanol
CID 133388459
4-chloro-6-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-2-methylpyrimidine
CID 129320611
1-(6-chloro-2-methylpyrimidin-4-yl)-4-phenylazepane
CID 133286642
1-(6-chloro-2-methylpyrimidin-4-yl)-2-methyl-3,4-dihydro-2H-quinoline
CID 55080188
(2,3-dimethylquinoxalin-6-yl)-[2-(1-phenylpropyl)pyrrolidin-1-yl]methanone
CID 56800405
6-(2-ethylpiperidin-1-yl)-2-methyl-N-(1-phenylethyl)pyrimidin-4-amine
CID 112872082
4-chloro-6-[(2S,4S)-2-(furan-2-yl)-4-methylpiperidin-1-yl]-2-methylpyrimidine
CID 98787488
2,4-dimethyl-6-(2-pentan-2-ylpyrrolidin-1-yl)pyrimidine
CID 133377070
4-chloro-2-methylsulfanyl-6-(2-propan-2-ylpyrrolidin-1-yl)pyrimidine
CID 80546864
(1R)-2-[4-(6-chloro-2-methylpyrimidin-4-yl)piperazin-1-yl]-1-phenylethanol
CID 95314204

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine (CID 95789765) is 4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine is CC[C@@H](c1ccccc1)[C@@H]1CCCN1c1cc(Cl)nc(C)n1.
What is the InChIKey of 4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine?
The InChIKey is JMCCOLNASMVXQJ-HOTGVXAUSA-N. The full InChI is InChI=1S/C18H22ClN3/c1-3-15(14-8-5-4-6-9-14)16-10-7-11-22(16)18-12-17(19)20-13(2)21-18/h4-6,8-9,12,15-16H,3,7,10-11H2,1-2H3/t15-,16-/m0/s1.
What are the key properties of 4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine?
4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine has a molecular weight of 315.85 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methyl-6-[(2S)-2-[(1S)-1-phenylpropyl]pyrrolidin-1-yl]pyrimidine is sourced from PubChem (CID 95789765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).