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

C13H15N3 — CID 166590913

IUPAC2-(6-tert-butyl-2-pyridinyl)pyrimidine
SMILESCC(C)(C)c1cccc(-c2ncccn2)n1
InChIInChI=1S/C13H15N3/c1-13(2,3)11-7-4-6-10(16-11)12-14-8-5-9-15-12/h4-9H,1-3H3
InChIKeyFOUKBKSWGDXRNH-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.84
Rot. Bonds1

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

2-(6-tert-butyl-2-pyridinyl)pyrimidine (PubChem CID 166590913) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 2-(6-tert-butyl-2-pyridinyl)pyrimidine.

Molecular Properties

Compound Name2-(6-tert-butyl-2-pyridinyl)pyrimidine
PubChem CID166590913
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name2-(6-tert-butyl-2-pyridinyl)pyrimidine
SMILESCC(C)(C)c1cccc(-c2ncccn2)n1
InChIInChI=1S/C13H15N3/c1-13(2,3)11-7-4-6-10(16-11)12-14-8-5-9-15-12/h4-9H,1-3H3
InChIKeyFOUKBKSWGDXRNH-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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Related Compounds

Amprolium Hydrochloride
CID 8732
Amprolium
CID 73341
4-Phenylpyrimidine
CID 18923
2-Amino-4-phenylpyrimidine
CID 598777
Amprolium ion
CID 2178
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
2,4-Diamino-6-(2-pyridyl)-1,3,5-triazine
CID 212817
4-(Pyridin-3-yl)pyrimidin-2-amine
CID 12450582
N-[(5-methylpyrimidin-2-yl)methyl]-6-phenyl-2-(pyridin-3-yl)pyrimidin-4-amine
CID 3296768
2-(4-Methylpiperazin-1-yl)-4-phenylpyrimidine
CID 10332554
2-N-butyl-4-N-(piperidin-4-ylmethyl)-5-pyridin-2-ylpyrimidine-2,4-diamine
CID 72792975
6-Methyl-N4-(pyridin-3-ylmethyl)pyrimidine-2,4-diamine
CID 2725571

Frequently Asked Questions

What is the IUPAC name of 2-(6-tert-butyl-2-pyridinyl)pyrimidine?
The IUPAC name of 2-(6-tert-butyl-2-pyridinyl)pyrimidine (CID 166590913) is 2-(6-tert-butyl-2-pyridinyl)pyrimidine.
What is the SMILES notation for 2-(6-tert-butyl-2-pyridinyl)pyrimidine?
The canonical SMILES for 2-(6-tert-butyl-2-pyridinyl)pyrimidine is CC(C)(C)c1cccc(-c2ncccn2)n1.
What is the InChIKey of 2-(6-tert-butyl-2-pyridinyl)pyrimidine?
The InChIKey is FOUKBKSWGDXRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-13(2,3)11-7-4-6-10(16-11)12-14-8-5-9-15-12/h4-9H,1-3H3.
What are the key properties of 2-(6-tert-butyl-2-pyridinyl)pyrimidine?
2-(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 2-(6-tert-butyl-2-pyridinyl)pyrimidine is sourced from PubChem (CID 166590913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).