2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine

C11H17N3 — CID 84663586

IUPAC2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1ccnc(C2CNC2)n1
InChIInChI=1S/C11H17N3/c1-8(2)5-10-3-4-13-11(14-10)9-6-12-7-9/h3-4,8-9,12H,5-7H2,1-2H3
InChIKeyNQGXSPYMXCOHHX-UHFFFAOYSA-N
MW191.28 g/mol
LogP1.36
Rot. Bonds3

About 2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine

2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine (PubChem CID 84663586) has the molecular formula C11H17N3 and a molecular weight of 191.28 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine
PubChem CID84663586
Molecular FormulaC11H17N3
Molecular Weight191.28 g/mol
Exact Mass191.14
IUPAC Name2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine
SMILESCC(C)Cc1ccnc(C2CNC2)n1
InChIInChI=1S/C11H17N3/c1-8(2)5-10-3-4-13-11(14-10)9-6-12-7-9/h3-4,8-9,12H,5-7H2,1-2H3
InChIKeyNQGXSPYMXCOHHX-UHFFFAOYSA-N
XLogP1.36
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.28
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[4-(2-methylpropyl)pyrimidin-2-yl]azepane
CID 84697087
3-[4-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116899145
2-(azetidin-3-yl)-4-methylpyrimidine;dihydrochloride
CID 71298998
N-methyl-4-(2-methylpropyl)-N-propan-2-ylpyrimidin-2-amine
CID 155088110
1-[2-(3-methylcyclohexyl)pyrimidin-4-yl]propan-2-amine
CID 62746094
2-cyclododecyl-4-ethylpyrimidine
CID 134492338
2-(azetidin-3-yl)-4-(2,4,6-trimethylphenyl)pyrimidine
CID 116898704
2-(azetidin-3-yl)-4-(2,3,5,6-tetramethylphenyl)pyrimidine
CID 116898708
2-(azetidin-3-yl)-4-(3,4-dimethylphenyl)pyrimidine
CID 116898684
2-(azetidin-3-yl)-4-(2,5-dimethylphenyl)pyrimidine
CID 116898685
1-(2-cyclobutylpyrimidin-4-yl)-N-methylmethanamine
CID 64985841
2-amino-1-[4-(2-methylpropyl)pyrimidin-2-yl]ethanol
CID 116902221

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine?
The IUPAC name of 2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine (CID 84663586) is 2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine.
What is the SMILES notation for 2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine?
The canonical SMILES for 2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine is CC(C)Cc1ccnc(C2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine?
The InChIKey is NQGXSPYMXCOHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3/c1-8(2)5-10-3-4-13-11(14-10)9-6-12-7-9/h3-4,8-9,12H,5-7H2,1-2H3.
What are the key properties of 2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine?
2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine has a molecular weight of 191.28 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4-(2-methylpropyl)pyrimidine is sourced from PubChem (CID 84663586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).