1-pentyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde

C10H18N2O — CID 123361287

IUPAC1-pentyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde
SMILESCCCCCN1CCCN=C1C=O
InChIInChI=1S/C10H18N2O/c1-2-3-4-7-12-8-5-6-11-10(12)9-13/h9H,2-8H2,1H3
InChIKeyCBOWSMCMAZOJGJ-UHFFFAOYSA-N
MW182.27 g/mol
LogP1.48
Rot. Bonds5

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

1-pentyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde (PubChem CID 123361287) has the molecular formula C10H18N2O and a molecular weight of 182.27 g/mol. Its IUPAC name is 1-pentyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde.

Molecular Properties

Compound Name1-pentyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde
PubChem CID123361287
Molecular FormulaC10H18N2O
Molecular Weight182.27 g/mol
Exact Mass182.14
IUPAC Name1-pentyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde
SMILESCCCCCN1CCCN=C1C=O
InChIInChI=1S/C10H18N2O/c1-2-3-4-7-12-8-5-6-11-10(12)9-13/h9H,2-8H2,1H3
InChIKeyCBOWSMCMAZOJGJ-UHFFFAOYSA-N
XLogP1.48
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.27
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-pentyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde?
The IUPAC name of 1-pentyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde (CID 123361287) is 1-pentyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde.
What is the SMILES notation for 1-pentyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde?
The canonical SMILES for 1-pentyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde is CCCCCN1CCCN=C1C=O.
What is the InChIKey of 1-pentyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde?
The InChIKey is CBOWSMCMAZOJGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O/c1-2-3-4-7-12-8-5-6-11-10(12)9-13/h9H,2-8H2,1H3.
What are the key properties of 1-pentyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde?
1-pentyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde has a molecular weight of 182.27 g/mol, XLogP of 1.48, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentyl-5,6-dihydro-4H-pyrimidine-2-carbaldehyde is sourced from PubChem (CID 123361287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).