3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid

C21H21N5O2 — CID 56963654

IUPAC3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
SMILESO=C(O)CCNc1cc(NC2Cc3ccccc3C2)nc(-c2ccccn2)n1
InChIInChI=1S/C21H21N5O2/c27-20(28)8-10-23-18-13-19(26-21(25-18)17-7-3-4-9-22-17)24-16-11-14-5-1-2-6-15(14)12-16/h1-7,9,13,16H,8,10-12H2,(H,27,28)(H2,23,24,25,26)
InChIKeyXBCWOPHYAHRFCZ-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.00
Rot. Bonds7

About 3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid

3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid (PubChem CID 56963654) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid.

Molecular Properties

Compound Name3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
PubChem CID56963654
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
SMILESO=C(O)CCNc1cc(NC2Cc3ccccc3C2)nc(-c2ccccn2)n1
InChIInChI=1S/C21H21N5O2/c27-20(28)8-10-23-18-13-19(26-21(25-18)17-7-3-4-9-22-17)24-16-11-14-5-1-2-6-15(14)12-16/h1-7,9,13,16H,8,10-12H2,(H,27,28)(H2,23,24,25,26)
InChIKeyXBCWOPHYAHRFCZ-UHFFFAOYSA-N
XLogP3.00
TPSA100.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid with MolForge

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Related Compounds

3-[[6-(cyclohexylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963309
3-[[6-(2-phenylethylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963655
3-[[6-(4-methylpiperazin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963401
3-[[2-pyridin-2-yl-6-(thiophen-2-ylmethylamino)pyrimidin-4-yl]amino]propanoic acid
CID 56962895
3-[[6-(azepan-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56962975
3-[[6-(4-hydroxypiperidin-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963398
3-[[6-[[2-[3-(methylamino)propanoylamino]acetyl]amino]-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963223
3-[[6-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-[4-(1,2,4,5-tetrahydro-3-benzazepin-3-yl)-2-pyridinyl]pyrimidin-4-yl]amino]propanoic acid
CID 56963133
N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
CID 4050048
3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid
CID 116975157
5-chloro-N-(2,3-dihydro-1H-inden-2-yl)-6-methyl-2-pyridin-2-ylpyrimidin-4-amine
CID 44591393
6-(2,3-dihydro-1H-inden-2-ylamino)pyridine-3-carboxylic acid
CID 114009300

Frequently Asked Questions

What is the IUPAC name of 3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid?
The IUPAC name of 3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid (CID 56963654) is 3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid.
What is the SMILES notation for 3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid?
The canonical SMILES for 3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid is O=C(O)CCNc1cc(NC2Cc3ccccc3C2)nc(-c2ccccn2)n1.
What is the InChIKey of 3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid?
The InChIKey is XBCWOPHYAHRFCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c27-20(28)8-10-23-18-13-19(26-21(25-18)17-7-3-4-9-22-17)24-16-11-14-5-1-2-6-15(14)12-16/h1-7,9,13,16H,8,10-12H2,(H,27,28)(H2,23,24,25,26).
What are the key properties of 3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid?
3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid has a molecular weight of 375.43 g/mol, XLogP of 3.00, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(2,3-dihydro-1H-inden-2-ylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid is sourced from PubChem (CID 56963654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).