2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde

C12H16N2O2 — CID 116730994

IUPAC2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde
SMILESCCOC(c1nc(C)cc(C=O)n1)C1CC1
InChIInChI=1S/C12H16N2O2/c1-3-16-11(9-4-5-9)12-13-8(2)6-10(7-15)14-12/h6-7,9,11H,3-5H2,1-2H3
InChIKeyPBDCOHSZFHPNLA-UHFFFAOYSA-N
MW220.27 g/mol
LogP2.09
Rot. Bonds5

About 2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde

2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde (PubChem CID 116730994) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is 2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde
PubChem CID116730994
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde
SMILESCCOC(c1nc(C)cc(C=O)n1)C1CC1
InChIInChI=1S/C12H16N2O2/c1-3-16-11(9-4-5-9)12-13-8(2)6-10(7-15)14-12/h6-7,9,11H,3-5H2,1-2H3
InChIKeyPBDCOHSZFHPNLA-UHFFFAOYSA-N
XLogP2.09
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 52.09
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-[cyclopropyl(ethoxy)methyl]-N-ethyl-6-propylpyrimidin-4-amine
CID 116728820
2-[cyclopropyl(ethoxy)methyl]-6-(methoxymethyl)-N-methylpyrimidin-4-amine
CID 116729036
N-[[2-[cyclopropyl(ethoxy)methyl]-4,6-dimethylpyrimidin-5-yl]methyl]ethanamine
CID 116731734
2-[cyclohexyl(ethoxy)methyl]-6-ethyl-5-methylpyrimidin-4-amine
CID 116776337
6-cyclopentyl-2-[cyclopropyl(ethoxy)methyl]-N-methylpyrimidin-4-amine
CID 116730104
2-[cyclopropyl(ethoxy)methyl]-5,6,7,8-tetrahydroquinazolin-4-amine
CID 116728665
2-(1-ethoxy-4,4-dimethylcyclohexyl)-6-methylpyrimidine-4-carbaldehyde
CID 116778389
2-[cyclopropyl(ethoxy)methyl]pyrimidine-4-carboxylic acid
CID 116731354
N-[[2-[cyclopropyl(methoxy)methyl]-6-methylpyrimidin-4-yl]methyl]cyclopropanamine
CID 116731176
2,6-dimethylpyrimidine-4-carbaldehyde
CID 22185220
ethyl 2-[cyclopropyl(ethoxy)methyl]-4-ethylpyrimidine-5-carboxylate
CID 102972887
2-[cyclopropyl(ethoxy)methyl]-4-ethyl-1H-pyrimidin-6-one
CID 136997576

Frequently Asked Questions

What is the IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde?
The IUPAC name of 2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde (CID 116730994) is 2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde.
What is the SMILES notation for 2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde?
The canonical SMILES for 2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde is CCOC(c1nc(C)cc(C=O)n1)C1CC1.
What is the InChIKey of 2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde?
The InChIKey is PBDCOHSZFHPNLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2/c1-3-16-11(9-4-5-9)12-13-8(2)6-10(7-15)14-12/h6-7,9,11H,3-5H2,1-2H3.
What are the key properties of 2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde?
2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde has a molecular weight of 220.27 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclopropyl(ethoxy)methyl]-6-methylpyrimidine-4-carbaldehyde is sourced from PubChem (CID 116730994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).