N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

C14H13N3O4 — CID 102738989

IUPACN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H13N3O4/c18-10-5-7-3-1-2-4-8(7)11(10)16-12(19)9-6-15-14(21)17-13(9)20/h1-4,6,10-11,18H,5H2,(H,16,19)(H2,15,17,20,21)/t10-,11+/m0/s1
InChIKeyRSXBLQLLHPDDPU-WDEREUQCSA-N
MW287.28 g/mol
LogP-0.55
Rot. Bonds2

About N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 102738989) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID102738989
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC NameN-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESO=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C14H13N3O4/c18-10-5-7-3-1-2-4-8(7)11(10)16-12(19)9-6-15-14(21)17-13(9)20/h1-4,6,10-11,18H,5H2,(H,16,19)(H2,15,17,20,21)/t10-,11+/m0/s1
InChIKeyRSXBLQLLHPDDPU-WDEREUQCSA-N
XLogP-0.55
TPSA115.05 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 5-0.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide with MolForge

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Related Compounds

N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 103816808
N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-2-methyl-1H-pyrrole-3-carboxamide
CID 111829594
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-oxo-1H-quinoline-4-carboxamide
CID 72927897
N-[(1S,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-1H-pyrrole-2-carboxamide
CID 141284427
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 43594238
2,3-difluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)benzamide
CID 62660008
2,4-dibromo-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103883197
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,3-dimethylbenzamide
CID 103816856
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-nitrobenzamide
CID 110906535
5-chloro-2-fluoro-N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]benzamide
CID 103816845
2-fluoro-N-(2-hydroxy-2,3-dihydro-1H-inden-1-yl)-3-methylbenzamide
CID 80711787
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-4-methylthiophene-3-carboxamide
CID 97065228

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 102738989) is N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is O=C(N[C@@H]1c2ccccc2C[C@@H]1O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is RSXBLQLLHPDDPU-WDEREUQCSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-10-5-7-3-1-2-4-8(7)11(10)16-12(19)9-6-15-14(21)17-13(9)20/h1-4,6,10-11,18H,5H2,(H,16,19)(H2,15,17,20,21)/t10-,11+/m0/s1.
What are the key properties of N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 287.28 g/mol, XLogP of -0.55, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 102738989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).