2-(1-methoxycyclobutyl)pyrimidin-4-amine

C9H13N3O — CID 116728675

IUPAC2-(1-methoxycyclobutyl)pyrimidin-4-amine
SMILESCOC1(c2nccc(N)n2)CCC1
InChIInChI=1S/C9H13N3O/c1-13-9(4-2-5-9)8-11-6-3-7(10)12-8/h3,6H,2,4-5H2,1H3,(H2,10,11,12)
InChIKeyCKWXUZUVSUHXHW-UHFFFAOYSA-N
MW179.22 g/mol
LogP1.08
Rot. Bonds2

About 2-(1-methoxycyclobutyl)pyrimidin-4-amine

2-(1-methoxycyclobutyl)pyrimidin-4-amine (PubChem CID 116728675) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)pyrimidin-4-amine
PubChem CID116728675
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC Name2-(1-methoxycyclobutyl)pyrimidin-4-amine
SMILESCOC1(c2nccc(N)n2)CCC1
InChIInChI=1S/C9H13N3O/c1-13-9(4-2-5-9)8-11-6-3-7(10)12-8/h3,6H,2,4-5H2,1H3,(H2,10,11,12)
InChIKeyCKWXUZUVSUHXHW-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

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Related Compounds

2-(1-ethoxycyclopentyl)pyrimidin-4-amine
CID 116775700
4-(dimethoxymethyl)-2-(1-methoxycyclobutyl)pyrimidine
CID 116731031
2-(1-methoxycyclohexyl)pyrimidine-4-carbaldehyde
CID 116778370
4-(dimethoxymethyl)-2-(1-methoxycyclohexyl)pyrimidine
CID 116778439
2-(1-methoxycyclobutyl)pyrimidin-5-amine
CID 116705146
2-(1-methoxycycloheptyl)-6-propan-2-ylpyrimidin-4-amine
CID 116775665
N-[[2-(1-methoxycycloheptyl)pyrimidin-4-yl]methyl]propan-2-amine
CID 116778527
4-chloro-2-(1-methoxy-4,4-dimethylcyclohexyl)pyrimidine
CID 116745761
6-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
CID 116701531
2-(1-methoxycyclopentyl)-6-phenylpyrimidin-4-amine
CID 104611662
N-[[2-(1-methoxycyclohexyl)pyrimidin-4-yl]methyl]cyclopropanamine
CID 116778544
2-(1-methoxy-4,4-dimethylcyclohexyl)-6-propan-2-ylpyrimidin-4-amine
CID 116775657

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)pyrimidin-4-amine?
The IUPAC name of 2-(1-methoxycyclobutyl)pyrimidin-4-amine (CID 116728675) is 2-(1-methoxycyclobutyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(1-methoxycyclobutyl)pyrimidin-4-amine?
The canonical SMILES for 2-(1-methoxycyclobutyl)pyrimidin-4-amine is COC1(c2nccc(N)n2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)pyrimidin-4-amine?
The InChIKey is CKWXUZUVSUHXHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-13-9(4-2-5-9)8-11-6-3-7(10)12-8/h3,6H,2,4-5H2,1H3,(H2,10,11,12).
What are the key properties of 2-(1-methoxycyclobutyl)pyrimidin-4-amine?
2-(1-methoxycyclobutyl)pyrimidin-4-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-4-amine is sourced from PubChem (CID 116728675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).