2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine

C9H12ClN3 — CID 62342852

IUPAC2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine
SMILESCC1CCCN1c1ccnc(Cl)n1
InChIInChI=1S/C9H12ClN3/c1-7-3-2-6-13(7)8-4-5-11-9(10)12-8/h4-5,7H,2-3,6H2,1H3
InChIKeyGMGWYJXYHKPWQZ-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.12
Rot. Bonds1

About 2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine

2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine (PubChem CID 62342852) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine.

Molecular Properties

Compound Name2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine
PubChem CID62342852
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine
SMILESCC1CCCN1c1ccnc(Cl)n1
InChIInChI=1S/C9H12ClN3/c1-7-3-2-6-13(7)8-4-5-11-9(10)12-8/h4-5,7H,2-3,6H2,1H3
InChIKeyGMGWYJXYHKPWQZ-UHFFFAOYSA-N
XLogP2.12
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 ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine?
The IUPAC name of 2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine (CID 62342852) is 2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine.
What is the SMILES notation for 2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine?
The canonical SMILES for 2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine is CC1CCCN1c1ccnc(Cl)n1.
What is the InChIKey of 2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine?
The InChIKey is GMGWYJXYHKPWQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-7-3-2-6-13(7)8-4-5-11-9(10)12-8/h4-5,7H,2-3,6H2,1H3.
What are the key properties of 2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine?
2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine has a molecular weight of 197.67 g/mol, XLogP of 2.12, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(2-methylpyrrolidin-1-yl)pyrimidine is sourced from PubChem (CID 62342852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).