5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine

C9H12ClN3 — CID 126993949

IUPAC5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine
SMILESCC1CCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C9H12ClN3/c1-7-2-3-13(6-7)9-11-4-8(10)5-12-9/h4-5,7H,2-3,6H2,1H3
InChIKeyKPFPTGBXJRAAHM-UHFFFAOYSA-N
MW197.67 g/mol
LogP1.98
Rot. Bonds1

About 5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine

5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine (PubChem CID 126993949) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine
PubChem CID126993949
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine
SMILESCC1CCN(c2ncc(Cl)cn2)C1
InChIInChI=1S/C9H12ClN3/c1-7-2-3-13(6-7)9-11-4-8(10)5-12-9/h4-5,7H,2-3,6H2,1H3
InChIKeyKPFPTGBXJRAAHM-UHFFFAOYSA-N
XLogP1.98
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.67
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-chloropyrimidin-2-yl)pyrrolidin-3-ol
CID 66569913
5-chloro-2-(3-methoxypyrrolidin-1-yl)pyrimidine
CID 126853062
1-[1-(5-chloropyrimidin-2-yl)pyrrolidin-3-yl]ethanol
CID 112627785
(2R,6S)-4-(5-chloropyrimidin-2-yl)-2,6-dimethylmorpholine
CID 124761431
(3R,4R)-1-(5-chloropyrimidin-2-yl)-3-(hydroxymethyl)piperidin-4-ol
CID 134706116
1-methyl-3-[(3R)-3-methylpyrrolidin-1-yl]-1,2,4-triazole
CID 141381942
1-methyl-3-(3-methylpyrrolidin-1-yl)-1,2,4-triazole
CID 141381928
5-chloro-2-[4-(3-methylbutan-2-yl)piperidin-1-yl]pyrimidine
CID 155179640
4-methyl-2-(3-methylpyrrolidin-1-yl)pyrimidine-5-carboxylic acid
CID 83181005
(3S)-1-(5-chloropyrimidin-2-yl)-N-methyl-N-(pyrimidin-2-ylmethyl)pyrrolidin-3-amine
CID 129477160
5-bromo-4-chloro-2-(3-methylpiperidin-1-yl)pyrimidine
CID 130053500
N-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-5-fluoro-N-methylpyrimidin-2-amine
CID 171691306

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine (CID 126993949) is 5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine is CC1CCN(c2ncc(Cl)cn2)C1.
What is the InChIKey of 5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine?
The InChIKey is KPFPTGBXJRAAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-7-2-3-13(6-7)9-11-4-8(10)5-12-9/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine?
5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine has a molecular weight of 197.67 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(3-methylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 126993949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).