2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine

C11H14N6 — CID 146079603

IUPAC2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine
SMILESCc1cc(N2CC(n3nccn3)C2)nc(C)n1
InChIInChI=1S/C11H14N6/c1-8-5-11(15-9(2)14-8)16-6-10(7-16)17-12-3-4-13-17/h3-5,10H,6-7H2,1-2H3
InChIKeyQXVFWSGZLHEIRV-UHFFFAOYSA-N
MW230.28 g/mol
LogP0.75
Rot. Bonds2

About 2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine

2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine (PubChem CID 146079603) has the molecular formula C11H14N6 and a molecular weight of 230.28 g/mol. Its IUPAC name is 2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine.

Molecular Properties

Compound Name2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine
PubChem CID146079603
Molecular FormulaC11H14N6
Molecular Weight230.28 g/mol
Exact Mass230.13
IUPAC Name2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine
SMILESCc1cc(N2CC(n3nccn3)C2)nc(C)n1
InChIInChI=1S/C11H14N6/c1-8-5-11(15-9(2)14-8)16-6-10(7-16)17-12-3-4-13-17/h3-5,10H,6-7H2,1-2H3
InChIKeyQXVFWSGZLHEIRV-UHFFFAOYSA-N
XLogP0.75
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 50.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine?
The IUPAC name of 2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine (CID 146079603) is 2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine.
What is the SMILES notation for 2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine?
The canonical SMILES for 2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine is Cc1cc(N2CC(n3nccn3)C2)nc(C)n1.
What is the InChIKey of 2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine?
The InChIKey is QXVFWSGZLHEIRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6/c1-8-5-11(15-9(2)14-8)16-6-10(7-16)17-12-3-4-13-17/h3-5,10H,6-7H2,1-2H3.
What are the key properties of 2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine?
2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine has a molecular weight of 230.28 g/mol, XLogP of 0.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-6-[3-(triazol-2-yl)azetidin-1-yl]pyrimidine is sourced from PubChem (CID 146079603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).