6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid

C14H13N3O2 — CID 165146859

IUPAC6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(NC2Cc3ccccc3C2)ncn1
InChIInChI=1S/C14H13N3O2/c18-14(19)12-7-13(16-8-15-12)17-11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11H,5-6H2,(H,18,19)(H,15,16,17)
InChIKeyAEJWWWQOECKOOA-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.75
Rot. Bonds3

About 6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid

6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid (PubChem CID 165146859) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid
PubChem CID165146859
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid
SMILESO=C(O)c1cc(NC2Cc3ccccc3C2)ncn1
InChIInChI=1S/C14H13N3O2/c18-14(19)12-7-13(16-8-15-12)17-11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11H,5-6H2,(H,18,19)(H,15,16,17)
InChIKeyAEJWWWQOECKOOA-UHFFFAOYSA-N
XLogP1.75
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid (CID 165146859) is 6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid is O=C(O)c1cc(NC2Cc3ccccc3C2)ncn1.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid?
The InChIKey is AEJWWWQOECKOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c18-14(19)12-7-13(16-8-15-12)17-11-5-9-3-1-2-4-10(9)6-11/h1-4,7-8,11H,5-6H2,(H,18,19)(H,15,16,17).
What are the key properties of 6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid?
6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-2-ylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 165146859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).