2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine

C13H21N3 — CID 122532873

IUPAC2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine
SMILESCC(C)c1cc(C(C)C)nc(N2CCC2)n1
InChIInChI=1S/C13H21N3/c1-9(2)11-8-12(10(3)4)15-13(14-11)16-6-5-7-16/h8-10H,5-7H2,1-4H3
InChIKeyKXQICVDXAMZYQX-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.93
Rot. Bonds3

About 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine

2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine (PubChem CID 122532873) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine.

Molecular Properties

Compound Name2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine
PubChem CID122532873
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine
SMILESCC(C)c1cc(C(C)C)nc(N2CCC2)n1
InChIInChI=1S/C13H21N3/c1-9(2)11-8-12(10(3)4)15-13(14-11)16-6-5-7-16/h8-10H,5-7H2,1-4H3
InChIKeyKXQICVDXAMZYQX-UHFFFAOYSA-N
XLogP2.93
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine?
The IUPAC name of 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine (CID 122532873) is 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine.
What is the SMILES notation for 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine?
The canonical SMILES for 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine is CC(C)c1cc(C(C)C)nc(N2CCC2)n1.
What is the InChIKey of 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine?
The InChIKey is KXQICVDXAMZYQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-9(2)11-8-12(10(3)4)15-13(14-11)16-6-5-7-16/h8-10H,5-7H2,1-4H3.
What are the key properties of 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine?
2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine has a molecular weight of 219.33 g/mol, XLogP of 2.93, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-yl)-4,6-di(propan-2-yl)pyrimidine is sourced from PubChem (CID 122532873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).