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

C15H15N3O2 — CID 115148888

IUPAC4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]pyrimidine-5-carboxylic acid
SMILESCN(c1ccc2c(c1)CCC2)c1ncncc1C(=O)O
InChIInChI=1S/C15H15N3O2/c1-18(14-13(15(19)20)8-16-9-17-14)12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4H2,1H3,(H,19,20)
InChIKeyCNOUYUAUHDIYGE-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.43
Rot. Bonds3

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

4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]pyrimidine-5-carboxylic acid (PubChem CID 115148888) has the molecular formula C15H15N3O2 and a molecular weight of 269.30 g/mol. Its IUPAC name is 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]pyrimidine-5-carboxylic acid
PubChem CID115148888
Molecular FormulaC15H15N3O2
Molecular Weight269.30 g/mol
Exact Mass269.12
IUPAC Name4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]pyrimidine-5-carboxylic acid
SMILESCN(c1ccc2c(c1)CCC2)c1ncncc1C(=O)O
InChIInChI=1S/C15H15N3O2/c1-18(14-13(15(19)20)8-16-9-17-14)12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4H2,1H3,(H,19,20)
InChIKeyCNOUYUAUHDIYGE-UHFFFAOYSA-N
XLogP2.43
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]pyrimidine-5-carboxylic acid (CID 115148888) is 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]pyrimidine-5-carboxylic acid is CN(c1ccc2c(c1)CCC2)c1ncncc1C(=O)O.
What is the InChIKey of 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]pyrimidine-5-carboxylic acid?
The InChIKey is CNOUYUAUHDIYGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O2/c1-18(14-13(15(19)20)8-16-9-17-14)12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4H2,1H3,(H,19,20).
What are the key properties of 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]pyrimidine-5-carboxylic acid?
4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]pyrimidine-5-carboxylic acid has a molecular weight of 269.30 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 115148888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).