2-(1,4-dihydropyridin-3-yl)-2,5-dihydropyrimidine

C9H11N3 — CID 91420020

IUPAC2-(1,4-dihydropyridin-3-yl)-2,5-dihydropyrimidine
SMILESC1=CNC=C(C2N=CCC=N2)C1
InChIInChI=1S/C9H11N3/c1-3-8(7-10-4-1)9-11-5-2-6-12-9/h1,4-7,9-10H,2-3H2
InChIKeyRIRKTNBLPHHDHG-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.25
Rot. Bonds1

About 2-(1,4-dihydropyridin-3-yl)-2,5-dihydropyrimidine

2-(1,4-dihydropyridin-3-yl)-2,5-dihydropyrimidine (PubChem CID 91420020) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 2-(1,4-dihydropyridin-3-yl)-2,5-dihydropyrimidine.

Molecular Properties

Compound Name2-(1,4-dihydropyridin-3-yl)-2,5-dihydropyrimidine
PubChem CID91420020
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name2-(1,4-dihydropyridin-3-yl)-2,5-dihydropyrimidine
SMILESC1=CNC=C(C2N=CCC=N2)C1
InChIInChI=1S/C9H11N3/c1-3-8(7-10-4-1)9-11-5-2-6-12-9/h1,4-7,9-10H,2-3H2
InChIKeyRIRKTNBLPHHDHG-UHFFFAOYSA-N
XLogP1.25
TPSA36.75 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,8-Dihydro-2,6-naphthyridine
CID 70279780
(Z)-N-(3-ethenyl-4-methylidene-1H-pyridin-2-yl)ethanimine
CID 143533360
1,2-Dihydropyrazine;1,2,3,4-tetrahydropyridine
CID 146216557
3,4,6,8a-Tetrahydro-1,6-naphthyridine
CID 173071576
1,4,8,8a-Tetrahydro-1,6-naphthyridin-6-ium
CID 173072295
1,4-dihydropyridine;3,4-dihydro-2H-pyrrole
CID 174903845
1,4,8,8a-Tetrahydro-1,6-naphthyridine
CID 173072296
4-(1H-pyridin-4-ylidenemethylidene)-3H-pyridin-3-ylium
CID 176532948

Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dihydropyridin-3-yl)-2,5-dihydropyrimidine?
The IUPAC name of 2-(1,4-dihydropyridin-3-yl)-2,5-dihydropyrimidine (CID 91420020) is 2-(1,4-dihydropyridin-3-yl)-2,5-dihydropyrimidine.
What is the SMILES notation for 2-(1,4-dihydropyridin-3-yl)-2,5-dihydropyrimidine?
The canonical SMILES for 2-(1,4-dihydropyridin-3-yl)-2,5-dihydropyrimidine is C1=CNC=C(C2N=CCC=N2)C1.
What is the InChIKey of 2-(1,4-dihydropyridin-3-yl)-2,5-dihydropyrimidine?
The InChIKey is RIRKTNBLPHHDHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-3-8(7-10-4-1)9-11-5-2-6-12-9/h1,4-7,9-10H,2-3H2.
What are the key properties of 2-(1,4-dihydropyridin-3-yl)-2,5-dihydropyrimidine?
2-(1,4-dihydropyridin-3-yl)-2,5-dihydropyrimidine has a molecular weight of 161.21 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dihydropyridin-3-yl)-2,5-dihydropyrimidine is sourced from PubChem (CID 91420020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).