5-(6-tert-butyl-2-pyridinyl)pyrimidine

C13H15N3 — CID 70990077

IUPAC5-(6-tert-butyl-2-pyridinyl)pyrimidine
SMILESCC(C)(C)c1cccc(-c2cncnc2)n1
InChIInChI=1S/C13H15N3/c1-13(2,3)12-6-4-5-11(16-12)10-7-14-9-15-8-10/h4-9H,1-3H3
InChIKeyADHRRZPTUOHVLH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.84
Rot. Bonds1

About 5-(6-tert-butyl-2-pyridinyl)pyrimidine

5-(6-tert-butyl-2-pyridinyl)pyrimidine (PubChem CID 70990077) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 5-(6-tert-butyl-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name5-(6-tert-butyl-2-pyridinyl)pyrimidine
PubChem CID70990077
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name5-(6-tert-butyl-2-pyridinyl)pyrimidine
SMILESCC(C)(C)c1cccc(-c2cncnc2)n1
InChIInChI=1S/C13H15N3/c1-13(2,3)12-6-4-5-11(16-12)10-7-14-9-15-8-10/h4-9H,1-3H3
InChIKeyADHRRZPTUOHVLH-UHFFFAOYSA-N
XLogP2.84
TPSA38.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(6-tert-butyl-2-pyridinyl)pyrimidine?
The IUPAC name of 5-(6-tert-butyl-2-pyridinyl)pyrimidine (CID 70990077) is 5-(6-tert-butyl-2-pyridinyl)pyrimidine.
What is the SMILES notation for 5-(6-tert-butyl-2-pyridinyl)pyrimidine?
The canonical SMILES for 5-(6-tert-butyl-2-pyridinyl)pyrimidine is CC(C)(C)c1cccc(-c2cncnc2)n1.
What is the InChIKey of 5-(6-tert-butyl-2-pyridinyl)pyrimidine?
The InChIKey is ADHRRZPTUOHVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-13(2,3)12-6-4-5-11(16-12)10-7-14-9-15-8-10/h4-9H,1-3H3.
What are the key properties of 5-(6-tert-butyl-2-pyridinyl)pyrimidine?
5-(6-tert-butyl-2-pyridinyl)pyrimidine has a molecular weight of 213.28 g/mol, XLogP of 2.84, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-tert-butyl-2-pyridinyl)pyrimidine is sourced from PubChem (CID 70990077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).