2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine

C14H16ClN3 — CID 113297358

IUPAC2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine
SMILESCc1cncc(-c2cc(Cl)nc(C(C)(C)C)n2)c1
InChIInChI=1S/C14H16ClN3/c1-9-5-10(8-16-7-9)11-6-12(15)18-13(17-11)14(2,3)4/h5-8H,1-4H3
InChIKeyQMZISRQKHKRUQC-UHFFFAOYSA-N
MW261.76 g/mol
LogP3.80
Rot. Bonds1

About 2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine

2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine (PubChem CID 113297358) has the molecular formula C14H16ClN3 and a molecular weight of 261.76 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine
PubChem CID113297358
Molecular FormulaC14H16ClN3
Molecular Weight261.76 g/mol
Exact Mass261.10
IUPAC Name2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine
SMILESCc1cncc(-c2cc(Cl)nc(C(C)(C)C)n2)c1
InChIInChI=1S/C14H16ClN3/c1-9-5-10(8-16-7-9)11-6-12(15)18-13(17-11)14(2,3)4/h5-8H,1-4H3
InChIKeyQMZISRQKHKRUQC-UHFFFAOYSA-N
XLogP3.80
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.76
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine?
The IUPAC name of 2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine (CID 113297358) is 2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine.
What is the SMILES notation for 2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine?
The canonical SMILES for 2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine is Cc1cncc(-c2cc(Cl)nc(C(C)(C)C)n2)c1.
What is the InChIKey of 2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine?
The InChIKey is QMZISRQKHKRUQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3/c1-9-5-10(8-16-7-9)11-6-12(15)18-13(17-11)14(2,3)4/h5-8H,1-4H3.
What are the key properties of 2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine?
2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine has a molecular weight of 261.76 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-6-(5-methyl-3-pyridinyl)pyrimidine is sourced from PubChem (CID 113297358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).