1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine-4-carbaldehyde

C8H14N2O — CID 88937083

IUPAC1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine-4-carbaldehyde
SMILESCCN1CCC(C=O)N=C1C
InChIInChI=1S/C8H14N2O/c1-3-10-5-4-8(6-11)9-7(10)2/h6,8H,3-5H2,1-2H3
InChIKeyRXRJCXTVXAYJIL-UHFFFAOYSA-N
MW154.21 g/mol
LogP0.70
Rot. Bonds2

About 1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine-4-carbaldehyde

1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine-4-carbaldehyde (PubChem CID 88937083) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is 1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine-4-carbaldehyde.

Molecular Properties

Compound Name1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine-4-carbaldehyde
PubChem CID88937083
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine-4-carbaldehyde
SMILESCCN1CCC(C=O)N=C1C
InChIInChI=1S/C8H14N2O/c1-3-10-5-4-8(6-11)9-7(10)2/h6,8H,3-5H2,1-2H3
InChIKeyRXRJCXTVXAYJIL-UHFFFAOYSA-N
XLogP0.70
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 50.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine-4-carbaldehyde?
The IUPAC name of 1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine-4-carbaldehyde (CID 88937083) is 1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine-4-carbaldehyde.
What is the SMILES notation for 1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine-4-carbaldehyde?
The canonical SMILES for 1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine-4-carbaldehyde is CCN1CCC(C=O)N=C1C.
What is the InChIKey of 1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine-4-carbaldehyde?
The InChIKey is RXRJCXTVXAYJIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2O/c1-3-10-5-4-8(6-11)9-7(10)2/h6,8H,3-5H2,1-2H3.
What are the key properties of 1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine-4-carbaldehyde?
1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine-4-carbaldehyde has a molecular weight of 154.21 g/mol, XLogP of 0.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-2-methyl-5,6-dihydro-4H-pyrimidine-4-carbaldehyde is sourced from PubChem (CID 88937083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).