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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Related Compounds

2-[1-(2,6-dimethylpyrimidin-4-yl)azetidin-3-yl]oxyethanol
CID 145234391
1-(2,6-dimethylpyrimidin-4-yl)-N-methylpiperidin-3-amine
CID 62547071
4-[3-(bromomethyl)pyrrolidin-1-yl]-2,6-dimethylpyrimidine
CID 80679967
5-(2,6-dimethylpyrimidin-4-yl)-2-thia-5-azabicyclo[2.2.1]heptane
CID 122270226
2,4-dimethyl-6-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]pyrimidine
CID 163350969
1-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-2-pyridin-3-ylethanone
CID 175648736
4-[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-7-methylthieno[3,2-d]pyrimidine
CID 172892347
[3-(2,6-dimethylpyrimidin-4-yl)-3,6-diazabicyclo[3.1.1]heptan-6-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 175650425
1-(2,6-dimethylpyrimidin-4-yl)-3-methylpyrrolidin-3-ol
CID 103868258
4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
N-[1-(2,6-dimethylpyrimidin-4-yl)piperidin-4-yl]-2-methylpyrimidin-4-amine
CID 136512883
1-[1-(2,6-dimethylpyrimidin-4-yl)pyrrolidin-3-yl]-N-methylmethanamine
CID 63267845

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).