1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde

C8H10N2O2 — CID 83873436

IUPAC1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde
SMILESCCn1c(C)ncc(C=O)c1=O
InChIInChI=1S/C8H10N2O2/c1-3-10-6(2)9-4-7(5-11)8(10)12/h4-5H,3H2,1-2H3
InChIKeyDZWDGXXEEUHXGW-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.38
Rot. Bonds2

About 1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde

1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde (PubChem CID 83873436) has the molecular formula C8H10N2O2 and a molecular weight of 166.18 g/mol. Its IUPAC name is 1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde
PubChem CID83873436
Molecular FormulaC8H10N2O2
Molecular Weight166.18 g/mol
Exact Mass166.07
IUPAC Name1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde
SMILESCCn1c(C)ncc(C=O)c1=O
InChIInChI=1S/C8H10N2O2/c1-3-10-6(2)9-4-7(5-11)8(10)12/h4-5H,3H2,1-2H3
InChIKeyDZWDGXXEEUHXGW-UHFFFAOYSA-N
XLogP0.38
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.38
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

1-ethyl-7-methyl-2-oxoquinoline-3-carbaldehyde
CID 18802182
5-(chloromethyl)-1-ethyl-2-methylimidazole
CID 130118504
(3-ethyl-2-methylimidazol-4-yl)methanol
CID 117193179
2-(3-ethyl-2-methylimidazol-4-yl)acetic acid
CID 55254160
5-bromo-3-[3-(ethylamino)propyl]-2-methylpyrimidin-4-one
CID 66310095
5-bromo-3-[4-(ethylamino)butyl]-2-methylpyrimidin-4-one
CID 66309474
1-(3-ethyl-2-methylimidazol-4-yl)-N,N-dimethylmethanamine
CID 117192906
1-ethyl-5-(methoxymethyl)-2-methylimidazole
CID 117193127
8-bromo-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carbaldehyde
CID 156822440
3-(dimethylamino)-1-(3-ethyl-2-methylimidazol-4-yl)prop-2-en-1-one
CID 68688176
5-iodo-2-methyl-3-[4-(propylamino)butyl]pyrimidin-4-one
CID 66340719
5-bromo-2-methyl-3-[4-(propylamino)butyl]pyrimidin-4-one
CID 66309683

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde?
The IUPAC name of 1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde (CID 83873436) is 1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde.
What is the SMILES notation for 1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde?
The canonical SMILES for 1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde is CCn1c(C)ncc(C=O)c1=O.
What is the InChIKey of 1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde?
The InChIKey is DZWDGXXEEUHXGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N2O2/c1-3-10-6(2)9-4-7(5-11)8(10)12/h4-5H,3H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde?
1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde has a molecular weight of 166.18 g/mol, XLogP of 0.38, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-6-oxopyrimidine-5-carbaldehyde is sourced from PubChem (CID 83873436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).