4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine

C12H10ClN3 — CID 63355064

IUPAC4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine
SMILESClc1cc(C2CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C12H10ClN3/c13-11-6-10(8-3-4-8)15-12(16-11)9-2-1-5-14-7-9/h1-2,5-8H,3-4H2
InChIKeyNUHKDLZPQOEYPS-UHFFFAOYSA-N
MW231.69 g/mol
LogP3.07
Rot. Bonds2

About 4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine

4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine (PubChem CID 63355064) has the molecular formula C12H10ClN3 and a molecular weight of 231.69 g/mol. Its IUPAC name is 4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine
PubChem CID63355064
Molecular FormulaC12H10ClN3
Molecular Weight231.69 g/mol
Exact Mass231.06
IUPAC Name4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine
SMILESClc1cc(C2CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C12H10ClN3/c13-11-6-10(8-3-4-8)15-12(16-11)9-2-1-5-14-7-9/h1-2,5-8H,3-4H2
InChIKeyNUHKDLZPQOEYPS-UHFFFAOYSA-N
XLogP3.07
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.69
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine?
The IUPAC name of 4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine (CID 63355064) is 4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine.
What is the SMILES notation for 4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine?
The canonical SMILES for 4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine is Clc1cc(C2CC2)nc(-c2cccnc2)n1.
What is the InChIKey of 4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine?
The InChIKey is NUHKDLZPQOEYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClN3/c13-11-6-10(8-3-4-8)15-12(16-11)9-2-1-5-14-7-9/h1-2,5-8H,3-4H2.
What are the key properties of 4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine?
4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine has a molecular weight of 231.69 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-cyclopropyl-2-pyridin-3-ylpyrimidine is sourced from PubChem (CID 63355064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).