2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine

C8H14N4 — CID 5232770

IUPAC2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine
SMILESC1=CNC(C2NCCCN2)N=C1
InChIInChI=1S/C8H14N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1,3-4,7-9,11-12H,2,5-6H2
InChIKeyZUSKGRZPEUPYIM-UHFFFAOYSA-N
MW166.23 g/mol
LogP-0.59
Rot. Bonds1

About 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine

2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine (PubChem CID 5232770) has the molecular formula C8H14N4 and a molecular weight of 166.23 g/mol. Its IUPAC name is 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine.

Molecular Properties

Compound Name2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine
PubChem CID5232770
Molecular FormulaC8H14N4
Molecular Weight166.23 g/mol
Exact Mass166.12
IUPAC Name2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine
SMILESC1=CNC(C2NCCCN2)N=C1
InChIInChI=1S/C8H14N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1,3-4,7-9,11-12H,2,5-6H2
InChIKeyZUSKGRZPEUPYIM-UHFFFAOYSA-N
XLogP-0.59
TPSA48.45 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.23
LogP ≤ 5-0.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine 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 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine?
The IUPAC name of 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine (CID 5232770) is 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine.
What is the SMILES notation for 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine?
The canonical SMILES for 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine is C1=CNC(C2NCCCN2)N=C1.
What is the InChIKey of 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine?
The InChIKey is ZUSKGRZPEUPYIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N4/c1-3-9-7(10-4-1)8-11-5-2-6-12-8/h1,3-4,7-9,11-12H,2,5-6H2.
What are the key properties of 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine?
2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine has a molecular weight of 166.23 g/mol, XLogP of -0.59, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-diazinan-2-yl)-1,2-dihydropyrimidine is sourced from PubChem (CID 5232770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).