6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile

C14H12N4 — CID 116862635

IUPAC6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile
SMILESN#Cc1cc(N)nc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H12N4/c15-8-12-7-13(16)18-14(17-12)11-5-4-9-2-1-3-10(9)6-11/h4-7H,1-3H2,(H2,16,17,18)
InChIKeyDONYXEKQBRWMBM-UHFFFAOYSA-N
MW236.28 g/mol
LogP2.09
Rot. Bonds1

About 6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile

6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile (PubChem CID 116862635) has the molecular formula C14H12N4 and a molecular weight of 236.28 g/mol. Its IUPAC name is 6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile.

Molecular Properties

Compound Name6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile
PubChem CID116862635
Molecular FormulaC14H12N4
Molecular Weight236.28 g/mol
Exact Mass236.11
IUPAC Name6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile
SMILESN#Cc1cc(N)nc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H12N4/c15-8-12-7-13(16)18-14(17-12)11-5-4-9-2-1-3-10(9)6-11/h4-7H,1-3H2,(H2,16,17,18)
InChIKeyDONYXEKQBRWMBM-UHFFFAOYSA-N
XLogP2.09
TPSA75.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile?
The IUPAC name of 6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile (CID 116862635) is 6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile.
What is the SMILES notation for 6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile?
The canonical SMILES for 6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile is N#Cc1cc(N)nc(-c2ccc3c(c2)CCC3)n1.
What is the InChIKey of 6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile?
The InChIKey is DONYXEKQBRWMBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4/c15-8-12-7-13(16)18-14(17-12)11-5-4-9-2-1-3-10(9)6-11/h4-7H,1-3H2,(H2,16,17,18).
What are the key properties of 6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile?
6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile has a molecular weight of 236.28 g/mol, XLogP of 2.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carbonitrile is sourced from PubChem (CID 116862635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).