2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid

C20H22N6O2 — CID 163721769

IUPAC2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid
SMILESCCCc1ccc2c(c1)CC(Nc1ncc(-c3n[nH]c(CC(=O)O)n3)cn1)C2
InChIInChI=1S/C20H22N6O2/c1-2-3-12-4-5-13-7-16(8-14(13)6-12)23-20-21-10-15(11-22-20)19-24-17(25-26-19)9-18(27)28/h4-6,10-11,16H,2-3,7-9H2,1H3,(H,27,28)(H,21,22,23)(H,24,25,26)
InChIKeyKSEKKRGRVUCYLT-UHFFFAOYSA-N
MW378.44 g/mol
LogP2.42
Rot. Bonds7

About 2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid

2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid (PubChem CID 163721769) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid.

Molecular Properties

Compound Name2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid
PubChem CID163721769
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid
SMILESCCCc1ccc2c(c1)CC(Nc1ncc(-c3n[nH]c(CC(=O)O)n3)cn1)C2
InChIInChI=1S/C20H22N6O2/c1-2-3-12-4-5-13-7-16(8-14(13)6-12)23-20-21-10-15(11-22-20)19-24-17(25-26-19)9-18(27)28/h4-6,10-11,16H,2-3,7-9H2,1H3,(H,27,28)(H,21,22,23)(H,24,25,26)
InChIKeyKSEKKRGRVUCYLT-UHFFFAOYSA-N
XLogP2.42
TPSA116.68 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 52.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid with MolForge

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Launch Full Analysis

Related Compounds

tert-butyl N-(5-propyl-2,3-dihydro-1H-inden-2-yl)carbamate
CID 71098528
2-[3-(3,5-dichlorophenyl)-1H-1,2,4-triazol-5-yl]acetic acid
CID 18739497
N-[5-(4-propylphenyl)-1H-pyrazol-3-yl]-2,3-dihydro-1H-indene-2-carboxamide
CID 18789328
2-[5-[2-[[5-(difluoromethoxymethyl)-2,3-dihydro-1H-inden-2-yl]amino]pyrimidin-5-yl]-1,3,4-oxadiazol-2-yl]-1-(2,4,6,7-tetrahydrotriazolo[4,5-c]pyridin-5-yl)ethanone
CID 167377254
[2-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-[(2S)-2-(methoxymethyl)azetidin-1-yl]methanone
CID 151676824
ethyl 2-[(5,6-difluoro-2,3-dihydro-1H-inden-2-yl)amino]pyrimidine-5-carboxylate
CID 169273988
N-(4-propylphenyl)-2,3-dihydro-1H-inden-2-amine
CID 43512917
4-[2-[[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]amino]-2,3-dihydro-1H-inden-5-yl]butanoic acid
CID 21080929
4-methyl-2-(1,2,3,4-tetrahydronaphthalen-2-ylamino)pyrimidine-5-carboxylic acid
CID 83178304
2-[4-[2-(2,3-dihydro-1H-inden-2-ylamino)pyrimidin-5-yl]-3-(1-methylazetidin-3-yl)oxypyrazol-1-yl]acetic acid
CID 158362286
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-5-pyrazin-2-ylpyrimidin-2-amine
CID 162383920
N-(2,3-dihydro-1H-inden-2-yl)-5-(1H-pyrazol-4-yl)pyrimidin-2-amine
CID 178038423

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid?
The IUPAC name of 2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid (CID 163721769) is 2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid.
What is the SMILES notation for 2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid?
The canonical SMILES for 2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid is CCCc1ccc2c(c1)CC(Nc1ncc(-c3n[nH]c(CC(=O)O)n3)cn1)C2.
What is the InChIKey of 2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid?
The InChIKey is KSEKKRGRVUCYLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-2-3-12-4-5-13-7-16(8-14(13)6-12)23-20-21-10-15(11-22-20)19-24-17(25-26-19)9-18(27)28/h4-6,10-11,16H,2-3,7-9H2,1H3,(H,27,28)(H,21,22,23)(H,24,25,26).
What are the key properties of 2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid?
2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid has a molecular weight of 378.44 g/mol, XLogP of 2.42, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[(5-propyl-2,3-dihydro-1H-inden-2-yl)amino]pyrimidin-5-yl]-1H-1,2,4-triazol-5-yl]acetic acid is sourced from PubChem (CID 163721769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).