2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde

C10H12N2O2 — CID 116731008

IUPAC2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde
SMILESCOC1(c2ncc(C=O)cn2)CCC1
InChIInChI=1S/C10H12N2O2/c1-14-10(3-2-4-10)9-11-5-8(7-13)6-12-9/h5-7H,2-4H2,1H3
InChIKeyYRHYTPZIHQMNRJ-UHFFFAOYSA-N
MW192.22 g/mol
LogP1.31
Rot. Bonds3

About 2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde

2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde (PubChem CID 116731008) has the molecular formula C10H12N2O2 and a molecular weight of 192.22 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde
PubChem CID116731008
Molecular FormulaC10H12N2O2
Molecular Weight192.22 g/mol
Exact Mass192.09
IUPAC Name2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde
SMILESCOC1(c2ncc(C=O)cn2)CCC1
InChIInChI=1S/C10H12N2O2/c1-14-10(3-2-4-10)9-11-5-8(7-13)6-12-9/h5-7H,2-4H2,1H3
InChIKeyYRHYTPZIHQMNRJ-UHFFFAOYSA-N
XLogP1.31
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.22
LogP ≤ 51.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-(1-methoxycyclobutyl)pyrimidin-5-amine
CID 116705146
2-(1-methoxycyclobutyl)-1H-imidazole-5-carbaldehyde
CID 116734128
N-[[2-(1-methoxycycloheptyl)pyrimidin-5-yl]methyl]-2-methylpropan-1-amine
CID 116778841
2-(1-methoxycyclohexyl)pyrimidine-4-carbaldehyde
CID 116778370
4-ethyl-2-(1-methoxycyclopentyl)pyrimidine-5-carboxylic acid
CID 104611627
2-(1-methoxycycloheptyl)-6-methylpyrimidine-4-carbaldehyde
CID 116778381
(1R)-1-[2-(1-methoxycyclobutyl)-4-methylpyrimidin-5-yl]ethanol
CID 103431417
4-(difluoromethyl)-2-(1-methoxycyclobutyl)pyrimidine-5-carboxylic acid
CID 116728189
2-(1-methoxycyclohexyl)-4-methylpyrimidine-5-carboxylic acid
CID 116775071
5-(bromomethyl)-2-(1-methoxycyclohexyl)-4-propan-2-ylpyrimidine
CID 114205748
[2-(1-methoxycyclopentyl)-4-propylpyrimidin-5-yl]methanamine
CID 114206006
5-(chloromethyl)-4-ethyl-2-(1-methoxycyclohexyl)pyrimidine
CID 114205349

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde?
The IUPAC name of 2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde (CID 116731008) is 2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde.
What is the SMILES notation for 2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde?
The canonical SMILES for 2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde is COC1(c2ncc(C=O)cn2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde?
The InChIKey is YRHYTPZIHQMNRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O2/c1-14-10(3-2-4-10)9-11-5-8(7-13)6-12-9/h5-7H,2-4H2,1H3.
What are the key properties of 2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde?
2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde has a molecular weight of 192.22 g/mol, XLogP of 1.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)pyrimidine-5-carbaldehyde is sourced from PubChem (CID 116731008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).