2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine

C13H19N3O — CID 116893325

IUPAC2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine
SMILESCc1cc(C2CCOCC2)nc(C2CNC2)n1
InChIInChI=1S/C13H19N3O/c1-9-6-12(10-2-4-17-5-3-10)16-13(15-9)11-7-14-8-11/h6,10-11,14H,2-5,7-8H2,1H3
InChIKeyOLFIPXVPEMQXBL-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.37
Rot. Bonds2

About 2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine

2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine (PubChem CID 116893325) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine.

Molecular Properties

Compound Name2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine
PubChem CID116893325
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine
SMILESCc1cc(C2CCOCC2)nc(C2CNC2)n1
InChIInChI=1S/C13H19N3O/c1-9-6-12(10-2-4-17-5-3-10)16-13(15-9)11-7-14-8-11/h6,10-11,14H,2-5,7-8H2,1H3
InChIKeyOLFIPXVPEMQXBL-UHFFFAOYSA-N
XLogP1.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine
CID 116893458
3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116893658
4-cyclopentyl-6-methyl-2-piperidin-3-ylpyrimidine
CID 55203946
4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386473
2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine
CID 116892590
2-(azetidin-3-yl)-4-tert-butyl-6-methylpyrimidine
CID 116893271
2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine
CID 122239001
1-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-one
CID 116895459
2-cyclopropyl-4-(oxan-4-yl)-6-piperazin-1-ylpyrimidine
CID 163346691
4,6-dimethyl-2-piperidin-3-ylpyrimidine
CID 63317441
6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 62315087
3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine
CID 116893656

Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine?
The IUPAC name of 2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine (CID 116893325) is 2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine.
What is the SMILES notation for 2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine?
The canonical SMILES for 2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine is Cc1cc(C2CCOCC2)nc(C2CNC2)n1.
What is the InChIKey of 2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine?
The InChIKey is OLFIPXVPEMQXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-9-6-12(10-2-4-17-5-3-10)16-13(15-9)11-7-14-8-11/h6,10-11,14H,2-5,7-8H2,1H3.
What are the key properties of 2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine?
2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine has a molecular weight of 233.31 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine is sourced from PubChem (CID 116893325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).