5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid

C13H12N4O3 — CID 67530679

IUPAC5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid
SMILESNc1cc(Oc2ccc3c(c2)CCN3C(=O)O)ncn1
InChIInChI=1S/C13H12N4O3/c14-11-6-12(16-7-15-11)20-9-1-2-10-8(5-9)3-4-17(10)13(18)19/h1-2,5-7H,3-4H2,(H,18,19)(H2,14,15,16)
InChIKeyCSYIGUSZUZXYOC-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.89
Rot. Bonds2

About 5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid

5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid (PubChem CID 67530679) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid.

Molecular Properties

Compound Name5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid
PubChem CID67530679
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid
SMILESNc1cc(Oc2ccc3c(c2)CCN3C(=O)O)ncn1
InChIInChI=1S/C13H12N4O3/c14-11-6-12(16-7-15-11)20-9-1-2-10-8(5-9)3-4-17(10)13(18)19/h1-2,5-7H,3-4H2,(H,18,19)(H2,14,15,16)
InChIKeyCSYIGUSZUZXYOC-UHFFFAOYSA-N
XLogP1.89
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-(1H-indol-5-yloxy)-5-[(1E)-(methoxyimino)methyl]pyrimidin-4-amine
CID 23646047
5-[(1E)-(methoxyimino)methyl]-6-[(1-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646048
5-[(1E)-(methoxyimino)methyl]-6-[(2-methyl-1H-indol-5-yl)oxy]pyrimidin-4-amine
CID 23646049
Nvp-bbt594
CID 59596344
6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]-5-[(1E)-(hydroxyimino)methyl]pyrimidin-4-amine
CID 90887398
(NE)-N-[[4-amino-6-[(4-fluoro-2-methyl-1H-indol-5-yl)oxy]pyrimidin-5-yl]methylidene]hydroxylamine
CID 23646066
5-(6-aminopyrimidin-4-yl)oxy-N-[3-(trifluoromethyl)phenyl]indole-1-carboxamide
CID 67405002
[6-(1H-indol-5-yloxy)pyrimidin-4-yl]methanamine;2,2,2-trifluoroacetic acid
CID 135186043
1-(4-Methoxyphenyl)-3-[2-methyl-4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea
CID 137650776
6-(4-Methoxy-2-methylanilino)-3-methyl-1-[2-(oxan-4-yl)ethyl]imidazo[4,5-c]pyridin-2-one
CID 163220033
1-Cyclopentyl-6-(4-ethoxy-2-methylanilino)-3-methylimidazo[4,5-c]pyridin-2-one
CID 163220039
1-Cyclopropyl-3-[2-methyl-4-[6-(methylamino)pyrimidin-4-yl]oxyphenyl]urea
CID 137650358

Frequently Asked Questions

What is the IUPAC name of 5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid?
The IUPAC name of 5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid (CID 67530679) is 5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid.
What is the SMILES notation for 5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid?
The canonical SMILES for 5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid is Nc1cc(Oc2ccc3c(c2)CCN3C(=O)O)ncn1.
What is the InChIKey of 5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid?
The InChIKey is CSYIGUSZUZXYOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c14-11-6-12(16-7-15-11)20-9-1-2-10-8(5-9)3-4-17(10)13(18)19/h1-2,5-7H,3-4H2,(H,18,19)(H2,14,15,16).
What are the key properties of 5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid?
5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid has a molecular weight of 272.26 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-aminopyrimidin-4-yl)oxy-2,3-dihydroindole-1-carboxylic acid is sourced from PubChem (CID 67530679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).