3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine

C14H21N3O — CID 116893658

IUPAC3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine
SMILESCc1cc(C2CCOCC2)nc(C2CC(N)C2)n1
InChIInChI=1S/C14H21N3O/c1-9-6-13(10-2-4-18-5-3-10)17-14(16-9)11-7-12(15)8-11/h6,10-12H,2-5,7-8,15H2,1H3
InChIKeyWRMGOZWNIUYUKR-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.88
Rot. Bonds2

About 3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine

3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine (PubChem CID 116893658) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine
PubChem CID116893658
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine
SMILESCc1cc(C2CCOCC2)nc(C2CC(N)C2)n1
InChIInChI=1S/C14H21N3O/c1-9-6-13(10-2-4-18-5-3-10)17-14(16-9)11-7-12(15)8-11/h6,10-12H,2-5,7-8,15H2,1H3
InChIKeyWRMGOZWNIUYUKR-UHFFFAOYSA-N
XLogP1.88
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-cyclopentyl-6-methylpyrimidin-2-yl)cyclobutan-1-amine
CID 116893656
2-(azetidin-3-yl)-4-methyl-6-(oxan-4-yl)pyrimidine
CID 116893325
4-methyl-6-(oxan-4-yl)-2-piperidin-4-ylpyrimidine
CID 116893458
3-(4,6-dimethylpyrimidin-2-yl)cyclobutan-1-amine
CID 116893628
2-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-amine
CID 116892590
6-methyl-2-(oxolan-3-yl)pyrimidin-4-amine
CID 62315087
2-cyclopropyl-6-(oxan-4-yl)pyrimidin-4-amine
CID 122239001
4-chloro-6-methyl-2-(oxan-4-yl)pyrimidine
CID 62386473
3-(4-methyl-6-phenylpyrimidin-2-yl)cyclobutan-1-amine
CID 116893630
4-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]butan-2-amine
CID 116893068
1-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]propan-2-one
CID 116895459
3-[4-methyl-6-(2-methylpropyl)pyrimidin-2-yl]cyclobutan-1-amine
CID 116893625

Frequently Asked Questions

What is the IUPAC name of 3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine?
The IUPAC name of 3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine (CID 116893658) is 3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine.
What is the SMILES notation for 3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine?
The canonical SMILES for 3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine is Cc1cc(C2CCOCC2)nc(C2CC(N)C2)n1.
What is the InChIKey of 3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine?
The InChIKey is WRMGOZWNIUYUKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-9-6-13(10-2-4-18-5-3-10)17-14(16-9)11-7-12(15)8-11/h6,10-12H,2-5,7-8,15H2,1H3.
What are the key properties of 3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine?
3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine has a molecular weight of 247.34 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-methyl-6-(oxan-4-yl)pyrimidin-2-yl]cyclobutan-1-amine is sourced from PubChem (CID 116893658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).