4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine

C14H16ClN3 — CID 107502262

IUPAC4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine
SMILESCc1cc(-c2nc(Cl)cc(C(C)C)n2)cc(C)n1
InChIInChI=1S/C14H16ClN3/c1-8(2)12-7-13(15)18-14(17-12)11-5-9(3)16-10(4)6-11/h5-8H,1-4H3
InChIKeyIVNRGOPJWNKXIR-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.93
Rot. Bonds2

About 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine

4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine (PubChem CID 107502262) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine.

Molecular Properties

Compound Name4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine
PubChem CID107502262
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine
SMILESCc1cc(-c2nc(Cl)cc(C(C)C)n2)cc(C)n1
InChIInChI=1S/C14H16ClN3/c1-8(2)12-7-13(15)18-14(17-12)11-5-9(3)16-10(4)6-11/h5-8H,1-4H3
InChIKeyIVNRGOPJWNKXIR-UHFFFAOYSA-N
XLogP3.93
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine?
The IUPAC name of 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine (CID 107502262) is 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine.
What is the SMILES notation for 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine?
The canonical SMILES for 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine is Cc1cc(-c2nc(Cl)cc(C(C)C)n2)cc(C)n1.
What is the InChIKey of 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine?
The InChIKey is IVNRGOPJWNKXIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-8(2)12-7-13(15)18-14(17-12)11-5-9(3)16-10(4)6-11/h5-8H,1-4H3.
What are the key properties of 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine?
4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine has a molecular weight of 261.76 g/mol, XLogP of 3.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(2,6-dimethyl-4-pyridinyl)-6-propan-2-ylpyrimidine is sourced from PubChem (CID 107502262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).