4-(2,3-dihydro-1H-inden-2-yl)pyrimidine

C13H12N2 — CID 57016788

IUPAC4-(2,3-dihydro-1H-inden-2-yl)pyrimidine
SMILESc1ccc2c(c1)CC(c1ccncn1)C2
InChIInChI=1S/C13H12N2/c1-2-4-11-8-12(7-10(11)3-1)13-5-6-14-9-15-13/h1-6,9,12H,7-8H2
InChIKeyUMNXAZFUFJCUIF-UHFFFAOYSA-N
MW196.25 g/mol
LogP2.36
Rot. Bonds1

About 4-(2,3-dihydro-1H-inden-2-yl)pyrimidine

4-(2,3-dihydro-1H-inden-2-yl)pyrimidine (PubChem CID 57016788) has the molecular formula C13H12N2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-2-yl)pyrimidine.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-2-yl)pyrimidine
PubChem CID57016788
Molecular FormulaC13H12N2
Molecular Weight196.25 g/mol
Exact Mass196.10
IUPAC Name4-(2,3-dihydro-1H-inden-2-yl)pyrimidine
SMILESc1ccc2c(c1)CC(c1ccncn1)C2
InChIInChI=1S/C13H12N2/c1-2-4-11-8-12(7-10(11)3-1)13-5-6-14-9-15-13/h1-6,9,12H,7-8H2
InChIKeyUMNXAZFUFJCUIF-UHFFFAOYSA-N
XLogP2.36
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-2-yl)pyrimidine?
The IUPAC name of 4-(2,3-dihydro-1H-inden-2-yl)pyrimidine (CID 57016788) is 4-(2,3-dihydro-1H-inden-2-yl)pyrimidine.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-2-yl)pyrimidine?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-2-yl)pyrimidine is c1ccc2c(c1)CC(c1ccncn1)C2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-2-yl)pyrimidine?
The InChIKey is UMNXAZFUFJCUIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N2/c1-2-4-11-8-12(7-10(11)3-1)13-5-6-14-9-15-13/h1-6,9,12H,7-8H2.
What are the key properties of 4-(2,3-dihydro-1H-inden-2-yl)pyrimidine?
4-(2,3-dihydro-1H-inden-2-yl)pyrimidine has a molecular weight of 196.25 g/mol, XLogP of 2.36, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydro-1H-inden-2-yl)pyrimidine is sourced from PubChem (CID 57016788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).