4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine

C9H12ClN3 — CID 40787016

IUPAC4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(Cl)cc(N2CCCC2)n1
InChIInChI=1S/C9H12ClN3/c1-7-11-8(10)6-9(12-7)13-4-2-3-5-13/h6H,2-5H2,1H3
InChIKeyYIYFWZJPDQLOJK-UHFFFAOYSA-N
MW197.67 g/mol
LogP2.04
Rot. Bonds1

About 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine

4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 40787016) has the molecular formula C9H12ClN3 and a molecular weight of 197.67 g/mol. Its IUPAC name is 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine
PubChem CID40787016
Molecular FormulaC9H12ClN3
Molecular Weight197.67 g/mol
Exact Mass197.07
IUPAC Name4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(Cl)cc(N2CCCC2)n1
InChIInChI=1S/C9H12ClN3/c1-7-11-8(10)6-9(12-7)13-4-2-3-5-13/h6H,2-5H2,1H3
InChIKeyYIYFWZJPDQLOJK-UHFFFAOYSA-N
XLogP2.04
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 ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine (CID 40787016) is 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine is Cc1nc(Cl)cc(N2CCCC2)n1.
What is the InChIKey of 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is YIYFWZJPDQLOJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3/c1-7-11-8(10)6-9(12-7)13-4-2-3-5-13/h6H,2-5H2,1H3.
What are the key properties of 4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine?
4-chloro-2-methyl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 197.67 g/mol, XLogP of 2.04, 1 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-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 40787016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).