6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione

C26H31N5O3 — CID 142276459

IUPAC6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESC=CC(c1cc(C)on1)N1CCCC(Cn2c(=O)cc(Nc3ccc4c(c3)CCC4)[nH]c2=O)C1
InChIInChI=1S/C26H31N5O3/c1-3-23(22-12-17(2)34-29-22)30-11-5-6-18(15-30)16-31-25(32)14-24(28-26(31)33)27-21-10-9-19-7-4-8-20(19)13-21/h3,9-10,12-14,18,23,27H,1,4-8,11,15-16H2,2H3,(H,28,33)
InChIKeyHSZRRMUBOYUUEP-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.70
Rot. Bonds7

About 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione

6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione (PubChem CID 142276459) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione
PubChem CID142276459
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione
SMILESC=CC(c1cc(C)on1)N1CCCC(Cn2c(=O)cc(Nc3ccc4c(c3)CCC4)[nH]c2=O)C1
InChIInChI=1S/C26H31N5O3/c1-3-23(22-12-17(2)34-29-22)30-11-5-6-18(15-30)16-31-25(32)14-24(28-26(31)33)27-21-10-9-19-7-4-8-20(19)13-21/h3,9-10,12-14,18,23,27H,1,4-8,11,15-16H2,2H3,(H,28,33)
InChIKeyHSZRRMUBOYUUEP-UHFFFAOYSA-N
XLogP3.70
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione with MolForge

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Related Compounds

6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[2-(2H-tetrazol-5-yl)acetyl]piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione
CID 58638767
6-(2,3-dihydro-1H-inden-5-ylamino)-3-[4-[4-(4,6-dimethylpyrimidin-2-yl)piperazin-1-yl]-4-oxobutyl]-1H-pyrimidine-2,4-dione
CID 142197084
6-(2,3-dihydro-1H-inden-5-ylamino)-3-[5-oxo-5-(4-phenylpiperazin-1-yl)pentyl]-1H-pyrimidine-2,4-dione
CID 142197057
2-[4-[4-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]butanoyl]piperazin-1-yl]acetaldehyde
CID 142197032
N-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethyl]thiadiazole-4-carboxamide;ethane
CID 142257549
N-[4-[2-[6-(2,3-dihydro-1H-inden-5-ylamino)-2,4-dioxo-1H-pyrimidin-3-yl]ethylsulfanylmethyl]-1,3-thiazol-2-yl]acetamide
CID 58656370
6-(3,4-dimethylanilino)-3-prop-2-enyl-1H-pyrimidine-2,4-dione;ethane
CID 142060059
6-(3,4-dimethylanilino)-3-ethyl-1H-pyrimidine-2,4-dione
CID 7080834
6-(3-ethyl-4-methylanilino)-3-[[1-(thiadiazole-4-carbonyl)piperidin-4-yl]methyl]-1H-pyrimidine-2,4-dione
CID 58638769
N-(2,3-dihydro-1H-inden-5-yl)-2-[4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperazin-1-yl]acetamide
CID 30663891
(3R)-N-(2,3-dihydro-1H-inden-5-yl)-3-[(1-methylimidazol-2-yl)methyl]piperidine-1-carboxamide
CID 97075864
3-[[1-[5-[(4-chloropyrazol-1-yl)methyl]furan-2-carbonyl]piperidin-4-yl]methyl]-6-(3-ethyl-4-methylanilino)-1H-pyrimidine-2,4-dione
CID 509275

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione (CID 142276459) is 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione is C=CC(c1cc(C)on1)N1CCCC(Cn2c(=O)cc(Nc3ccc4c(c3)CCC4)[nH]c2=O)C1.
What is the InChIKey of 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione?
The InChIKey is HSZRRMUBOYUUEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-3-23(22-12-17(2)34-29-22)30-11-5-6-18(15-30)16-31-25(32)14-24(28-26(31)33)27-21-10-9-19-7-4-8-20(19)13-21/h3,9-10,12-14,18,23,27H,1,4-8,11,15-16H2,2H3,(H,28,33).
What are the key properties of 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione?
6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione has a molecular weight of 461.57 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydro-1H-inden-5-ylamino)-3-[[1-[1-(5-methyl-1,2-oxazol-3-yl)prop-2-enyl]piperidin-3-yl]methyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 142276459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).