sodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid

C14H13N4NaO2 — CID 173149999

IUPACsodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid
SMILESCNc1nccc(-c2cc3cc(C(=O)O)ccc3[nH]2)n1.[H-].[Na+]
InChIInChI=1S/C14H12N4O2.Na.H/c1-15-14-16-5-4-11(18-14)12-7-9-6-8(13(19)20)2-3-10(9)17-12;;/h2-7,17H,1H3,(H,19,20)(H,15,16,18);;/q;+1;-1
InChIKeyZGJRCCISCMUUPJ-UHFFFAOYSA-N
MW292.27 g/mol
LogP-0.52
Rot. Bonds3

About sodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid

sodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid (PubChem CID 173149999) has the molecular formula C14H13N4NaO2 and a molecular weight of 292.27 g/mol. Its IUPAC name is sodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Namesodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid
PubChem CID173149999
Molecular FormulaC14H13N4NaO2
Molecular Weight292.27 g/mol
Exact Mass292.09
IUPAC Namesodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid
SMILESCNc1nccc(-c2cc3cc(C(=O)O)ccc3[nH]2)n1.[H-].[Na+]
InChIInChI=1S/C14H12N4O2.Na.H/c1-15-14-16-5-4-11(18-14)12-7-9-6-8(13(19)20)2-3-10(9)17-12;;/h2-7,17H,1H3,(H,19,20)(H,15,16,18);;/q;+1;-1
InChIKeyZGJRCCISCMUUPJ-UHFFFAOYSA-N
XLogP-0.52
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.27
LogP ≤ 5-0.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid?
The IUPAC name of sodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid (CID 173149999) is sodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid.
What is the SMILES notation for sodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid?
The canonical SMILES for sodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid is CNc1nccc(-c2cc3cc(C(=O)O)ccc3[nH]2)n1.[H-].[Na+].
What is the InChIKey of sodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid?
The InChIKey is ZGJRCCISCMUUPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2.Na.H/c1-15-14-16-5-4-11(18-14)12-7-9-6-8(13(19)20)2-3-10(9)17-12;;/h2-7,17H,1H3,(H,19,20)(H,15,16,18);;/q;+1;-1.
What are the key properties of sodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid?
sodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid has a molecular weight of 292.27 g/mol, XLogP of -0.52, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;2-[2-(methylamino)pyrimidin-4-yl]-1H-indole-5-carboxylic acid is sourced from PubChem (CID 173149999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).