2-(1-methoxycyclobutyl)pyrimidin-5-amine

C9H13N3O — CID 116705146

IUPAC2-(1-methoxycyclobutyl)pyrimidin-5-amine
SMILESCOC1(c2ncc(N)cn2)CCC1
InChIInChI=1S/C9H13N3O/c1-13-9(3-2-4-9)8-11-5-7(10)6-12-8/h5-6H,2-4,10H2,1H3
InChIKeyFHRHEPGLBMCQJH-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.08
Rot. Bonds2

About 2-(1-methoxycyclobutyl)pyrimidin-5-amine

2-(1-methoxycyclobutyl)pyrimidin-5-amine (PubChem CID 116705146) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)pyrimidin-5-amine
PubChem CID116705146
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(1-methoxycyclobutyl)pyrimidin-5-amine
SMILESCOC1(c2ncc(N)cn2)CCC1
InChIInChI=1S/C9H13N3O/c1-13-9(3-2-4-9)8-11-5-7(10)6-12-8/h5-6H,2-4,10H2,1H3
InChIKeyFHRHEPGLBMCQJH-UHFFFAOYSA-N
XLogP1.08
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(1-methoxycyclobutyl)pyrimidin-5-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde
CID 116731008
2-(1-methoxycyclobutyl)pyrimidin-4-amine
CID 116728675
N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116778841
(1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431417
2-(1-methoxycyclobutyl)thieno[2,3-d]pyrimidin-4-amine
CID 116728373
[2-(1-methoxycyclopentyl)-4-propylpyrimidin-5-yl]methanamine
CID 114206006
4-(difluoromethyl)-2-(1-methoxycyclobutyl)pyrimidine-5-carboxylic acid
CID 116728189
4-ethyl-6-(1-methoxycyclobutyl)-1,3,5-triazin-2-amine
CID 116734026
5-iodo-2-(1-methoxycyclobutyl)-6-methylpyrimidin-4-amine
CID 116729345
3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-amine
CID 104609719
5-iodo-2-(1-methoxycycloheptyl)-N-methylpyrimidin-4-amine
CID 116777114
2-(1-methoxycyclohexyl)-4-methylpyrimidine-5-carboxylic acid
CID 116775071

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)pyrimidin-5-amine?
The IUPAC name of 2-(1-methoxycyclobutyl)pyrimidin-5-amine (CID 116705146) is 2-(1-methoxycyclobutyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(1-methoxycyclobutyl)pyrimidin-5-amine?
The canonical SMILES for 2-(1-methoxycyclobutyl)pyrimidin-5-amine is COC1(c2ncc(N)cn2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)pyrimidin-5-amine?
The InChIKey is FHRHEPGLBMCQJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-13-9(3-2-4-9)8-11-5-7(10)6-12-8/h5-6H,2-4,10H2,1H3.
What are the key properties of 2-(1-methoxycyclobutyl)pyrimidin-5-amine?
2-(1-methoxycyclobutyl)pyrimidin-5-amine has a molecular weight of 179.22 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)pyrimidin-5-amine is sourced from PubChem (CID 116705146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).