5-chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine

C14H15ClN4 — CID 2740171

IUPAC5-chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(-c2ccccn2)nc(N2CCCC2)c1Cl
InChIInChI=1S/C14H15ClN4/c1-10-12(15)14(19-8-4-5-9-19)18-13(17-10)11-6-2-3-7-16-11/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyFWOAPYAUZBQNHD-UHFFFAOYSA-N
MW274.75 g/mol
LogP3.10
Rot. Bonds2

About 5-chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine

5-chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine (PubChem CID 2740171) has the molecular formula C14H15ClN4 and a molecular weight of 274.75 g/mol. Its IUPAC name is 5-chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine.

Molecular Properties

Compound Name5-chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine
PubChem CID2740171
Molecular FormulaC14H15ClN4
Molecular Weight274.75 g/mol
Exact Mass274.10
IUPAC Name5-chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine
SMILESCc1nc(-c2ccccn2)nc(N2CCCC2)c1Cl
InChIInChI=1S/C14H15ClN4/c1-10-12(15)14(19-8-4-5-9-19)18-13(17-10)11-6-2-3-7-16-11/h2-3,6-7H,4-5,8-9H2,1H3
InChIKeyFWOAPYAUZBQNHD-UHFFFAOYSA-N
XLogP3.10
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.75
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine?
The IUPAC name of 5-chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine (CID 2740171) is 5-chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine.
What is the SMILES notation for 5-chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine?
The canonical SMILES for 5-chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine is Cc1nc(-c2ccccn2)nc(N2CCCC2)c1Cl.
What is the InChIKey of 5-chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine?
The InChIKey is FWOAPYAUZBQNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4/c1-10-12(15)14(19-8-4-5-9-19)18-13(17-10)11-6-2-3-7-16-11/h2-3,6-7H,4-5,8-9H2,1H3.
What are the key properties of 5-chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine?
5-chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine has a molecular weight of 274.75 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-methyl-2-pyridin-2-yl-6-pyrrolidin-1-ylpyrimidine is sourced from PubChem (CID 2740171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).