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

C14H13N3O2 — CID 82049589

IUPAC2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid
SMILESNc1nc(C(=O)O)cc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H13N3O2/c15-14-16-11(7-12(17-14)13(18)19)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H,18,19)(H2,15,16,17)
InChIKeyOVIJBFHRWWHUJQ-UHFFFAOYSA-N
MW255.28 g/mol
LogP1.91
Rot. Bonds2

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

2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid (PubChem CID 82049589) has the molecular formula C14H13N3O2 and a molecular weight of 255.28 g/mol. Its IUPAC name is 2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid
PubChem CID82049589
Molecular FormulaC14H13N3O2
Molecular Weight255.28 g/mol
Exact Mass255.10
IUPAC Name2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid
SMILESNc1nc(C(=O)O)cc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C14H13N3O2/c15-14-16-11(7-12(17-14)13(18)19)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H,18,19)(H2,15,16,17)
InChIKeyOVIJBFHRWWHUJQ-UHFFFAOYSA-N
XLogP1.91
TPSA89.10 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.28
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid (CID 82049589) is 2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid is Nc1nc(C(=O)O)cc(-c2ccc3c(c2)CCC3)n1.
What is the InChIKey of 2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid?
The InChIKey is OVIJBFHRWWHUJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2/c15-14-16-11(7-12(17-14)13(18)19)10-5-4-8-2-1-3-9(8)6-10/h4-7H,1-3H2,(H,18,19)(H2,15,16,17).
What are the key properties of 2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid?
2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid has a molecular weight of 255.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 82049589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).