2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine

C11H17N3 — CID 58278816

IUPAC2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine
SMILESCC(C)c1ccnc(CN2CCC2)n1
InChIInChI=1S/C11H17N3/c1-9(2)10-4-5-12-11(13-10)8-14-6-3-7-14/h4-5,9H,3,6-8H2,1-2H3
InChIKeyIRTXFMGICOQZAF-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.81
Rot. Bonds3

About 2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine

2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine (PubChem CID 58278816) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine.

Molecular Properties

Compound Name2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine
PubChem CID58278816
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine
SMILESCC(C)c1ccnc(CN2CCC2)n1
InChIInChI=1S/C11H17N3/c1-9(2)10-4-5-12-11(13-10)8-14-6-3-7-14/h4-5,9H,3,6-8H2,1-2H3
InChIKeyIRTXFMGICOQZAF-UHFFFAOYSA-N
XLogP1.81
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine?
The IUPAC name of 2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine (CID 58278816) is 2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine.
What is the SMILES notation for 2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine?
The canonical SMILES for 2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine is CC(C)c1ccnc(CN2CCC2)n1.
What is the InChIKey of 2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine?
The InChIKey is IRTXFMGICOQZAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-9(2)10-4-5-12-11(13-10)8-14-6-3-7-14/h4-5,9H,3,6-8H2,1-2H3.
What are the key properties of 2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine?
2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine has a molecular weight of 191.28 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-1-ylmethyl)-4-propan-2-ylpyrimidine is sourced from PubChem (CID 58278816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).