1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine

C10H16N2 — CID 67934585

IUPAC1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine
SMILESC=CCC1=NCCCN1CC=C
InChIInChI=1S/C10H16N2/c1-3-6-10-11-7-5-9-12(10)8-4-2/h3-4H,1-2,5-9H2
InChIKeySQAYJHRIXSKDLL-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.85
Rot. Bonds4

About 1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine

1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine (PubChem CID 67934585) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine.

Molecular Properties

Compound Name1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine
PubChem CID67934585
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine
SMILESC=CCC1=NCCCN1CC=C
InChIInChI=1S/C10H16N2/c1-3-6-10-11-7-5-9-12(10)8-4-2/h3-4H,1-2,5-9H2
InChIKeySQAYJHRIXSKDLL-UHFFFAOYSA-N
XLogP1.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine?
The IUPAC name of 1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine (CID 67934585) is 1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine.
What is the SMILES notation for 1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine?
The canonical SMILES for 1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine is C=CCC1=NCCCN1CC=C.
What is the InChIKey of 1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine?
The InChIKey is SQAYJHRIXSKDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-3-6-10-11-7-5-9-12(10)8-4-2/h3-4H,1-2,5-9H2.
What are the key properties of 1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine?
1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine has a molecular weight of 164.25 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyl)-5,6-dihydro-4H-pyrimidine is sourced from PubChem (CID 67934585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).