1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine

C9H11N3 — CID 173181305

IUPAC1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine
SMILESC1=CCC(N2C=CC=NC2)N=C1
InChIInChI=1S/C9H11N3/c1-2-6-11-9(4-1)12-7-3-5-10-8-12/h1-3,5-7,9H,4,8H2
InChIKeyXLZKDEXZPBJUCI-UHFFFAOYSA-N
MW161.21 g/mol
LogP1.20
Rot. Bonds1

About 1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine

1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine (PubChem CID 173181305) has the molecular formula C9H11N3 and a molecular weight of 161.21 g/mol. Its IUPAC name is 1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine.

Molecular Properties

Compound Name1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine
PubChem CID173181305
Molecular FormulaC9H11N3
Molecular Weight161.21 g/mol
Exact Mass161.10
IUPAC Name1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine
SMILESC1=CCC(N2C=CC=NC2)N=C1
InChIInChI=1S/C9H11N3/c1-2-6-11-9(4-1)12-7-3-5-10-8-12/h1-3,5-7,9H,4,8H2
InChIKeyXLZKDEXZPBJUCI-UHFFFAOYSA-N
XLogP1.20
TPSA27.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.21
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine?
The IUPAC name of 1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine (CID 173181305) is 1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine.
What is the SMILES notation for 1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine?
The canonical SMILES for 1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine is C1=CCC(N2C=CC=NC2)N=C1.
What is the InChIKey of 1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine?
The InChIKey is XLZKDEXZPBJUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3/c1-2-6-11-9(4-1)12-7-3-5-10-8-12/h1-3,5-7,9H,4,8H2.
What are the key properties of 1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine?
1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine has a molecular weight of 161.21 g/mol, XLogP of 1.20, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyridin-2-yl)-2H-pyrimidine is sourced from PubChem (CID 173181305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).