4-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrimidine-5-carboxylic acid

C15H14N2O3 — CID 102973562

IUPAC4-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1COc1ccc2c(c1)CCC2
InChIInChI=1S/C15H14N2O3/c18-15(19)13-7-16-9-17-14(13)8-20-12-5-4-10-2-1-3-11(10)6-12/h4-7,9H,1-3,8H2,(H,18,19)
InChIKeyJQDDJPKQAIEAHP-UHFFFAOYSA-N
MW270.29 g/mol
LogP2.24
Rot. Bonds4

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

4-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrimidine-5-carboxylic acid (PubChem CID 102973562) has the molecular formula C15H14N2O3 and a molecular weight of 270.29 g/mol. Its IUPAC name is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrimidine-5-carboxylic acid
PubChem CID102973562
Molecular FormulaC15H14N2O3
Molecular Weight270.29 g/mol
Exact Mass270.10
IUPAC Name4-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrimidine-5-carboxylic acid
SMILESO=C(O)c1cncnc1COc1ccc2c(c1)CCC2
InChIInChI=1S/C15H14N2O3/c18-15(19)13-7-16-9-17-14(13)8-20-12-5-4-10-2-1-3-11(10)6-12/h4-7,9H,1-3,8H2,(H,18,19)
InChIKeyJQDDJPKQAIEAHP-UHFFFAOYSA-N
XLogP2.24
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-ethoxyphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973475
4-[(3-iodophenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973591
4-[(3,5-dimethylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973493
4-[(3,5-difluorophenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973648
4-[(3-methyl-4-nitrophenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973511
4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 90787660
4-[2,3-dihydro-1H-inden-5-yl(methyl)amino]pyrimidine-5-carboxylic acid
CID 115148888
2-[2-(4-fluorophenoxy)ethylamino]-4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid
CID 110161746
4-[(3-fluoro-5-formylphenoxy)methyl]pyrimidine-5-carboxylic acid
CID 102973709
4-(2,3-dihydro-1H-inden-5-yloxymethyl)-5-methyl-1,2-oxazole-3-carboxylic acid
CID 19623168
2-[methyl-[2-(2-methylphenoxy)ethyl]amino]-4-(5,6,7,8-tetrahydronaphthalen-2-yloxymethyl)pyrimidine-5-carboxylic acid
CID 110161748
5-chloro-6-(2,3-dihydro-1H-inden-5-yloxymethyl)pyridin-2-amine
CID 55127792

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrimidine-5-carboxylic acid?
The IUPAC name of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrimidine-5-carboxylic acid (CID 102973562) is 4-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrimidine-5-carboxylic acid is O=C(O)c1cncnc1COc1ccc2c(c1)CCC2.
What is the InChIKey of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrimidine-5-carboxylic acid?
The InChIKey is JQDDJPKQAIEAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O3/c18-15(19)13-7-16-9-17-14(13)8-20-12-5-4-10-2-1-3-11(10)6-12/h4-7,9H,1-3,8H2,(H,18,19).
What are the key properties of 4-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrimidine-5-carboxylic acid?
4-(2,3-dihydro-1H-inden-5-yloxymethyl)pyrimidine-5-carboxylic acid has a molecular weight of 270.29 g/mol, XLogP of 2.24, 4 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-yloxymethyl)pyrimidine-5-carboxylic acid is sourced from PubChem (CID 102973562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).