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

C15H15N3O2 — CID 116862394

IUPAC2-(2,3-dihydro-1H-inden-5-yl)-6-(methylamino)pyrimidine-4-carboxylic acid
SMILESCNc1cc(C(=O)O)nc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C15H15N3O2/c1-16-13-8-12(15(19)20)17-14(18-13)11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyJIKIPHDYAFYKPU-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.37
Rot. Bonds3

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

2-(2,3-dihydro-1H-inden-5-yl)-6-(methylamino)pyrimidine-4-carboxylic acid (PubChem CID 116862394) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 2-(2,3-dihydro-1H-inden-5-yl)-6-(methylamino)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1H-inden-5-yl)-6-(methylamino)pyrimidine-4-carboxylic acid
PubChem CID116862394
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name2-(2,3-dihydro-1H-inden-5-yl)-6-(methylamino)pyrimidine-4-carboxylic acid
SMILESCNc1cc(C(=O)O)nc(-c2ccc3c(c2)CCC3)n1
InChIInChI=1S/C15H15N3O2/c1-16-13-8-12(15(19)20)17-14(18-13)11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyJIKIPHDYAFYKPU-UHFFFAOYSA-N
XLogP2.37
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-6-(2,3-dihydro-1H-inden-5-yl)pyrimidine-4-carboxylic acid
CID 82049589
2-(2,3-dihydro-1H-inden-5-yl)-1,3-oxazole-4-carboxylic acid
CID 62234498
4-(2,3-dihydro-1H-inden-5-yl)-2-(methylamino)-1,3-thiazole-5-carboxylic acid
CID 82134601
2-(4-chlorophenyl)-6-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 82169881
6-(2,3-dihydro-1H-inden-5-yl)-3-methylpyridazine-4-carboxylic acid
CID 82381465
6-(ethylamino)-2-(4-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82169806
6-(2,3-dihydro-1H-inden-5-ylamino)pyrazine-2-carboxylic acid
CID 66458124
5-(2,3-dihydro-1H-inden-5-yl)-1,2,4-oxadiazole-3-carboxylic acid
CID 55184374
2-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1H-imidazo[4,5-b]pyridin-5-amine
CID 79817017
5-(2,3-dihydro-1H-inden-5-yl)-3-methylimidazole-4-carboxylic acid
CID 83672848
3-(2,3-dihydro-1H-inden-5-yl)-4-fluorobenzoic acid
CID 107957682
4-(2,3-dihydro-1H-inden-5-yl)-N-methyl-1,3-oxazol-2-amine
CID 116832476

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-6-(methylamino)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-(2,3-dihydro-1H-inden-5-yl)-6-(methylamino)pyrimidine-4-carboxylic acid (CID 116862394) is 2-(2,3-dihydro-1H-inden-5-yl)-6-(methylamino)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-(2,3-dihydro-1H-inden-5-yl)-6-(methylamino)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-(2,3-dihydro-1H-inden-5-yl)-6-(methylamino)pyrimidine-4-carboxylic acid is CNc1cc(C(=O)O)nc(-c2ccc3c(c2)CCC3)n1.
What is the InChIKey of 2-(2,3-dihydro-1H-inden-5-yl)-6-(methylamino)pyrimidine-4-carboxylic acid?
The InChIKey is JIKIPHDYAFYKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-16-13-8-12(15(19)20)17-14(18-13)11-6-5-9-3-2-4-10(9)7-11/h5-8H,2-4H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 2-(2,3-dihydro-1H-inden-5-yl)-6-(methylamino)pyrimidine-4-carboxylic acid?
2-(2,3-dihydro-1H-inden-5-yl)-6-(methylamino)pyrimidine-4-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1H-inden-5-yl)-6-(methylamino)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 116862394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).