N-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

C9H13N3O5 — CID 106182249

IUPACN-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOCC(CO)NC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O5/c1-17-4-5(3-13)11-7(14)6-2-10-9(16)12-8(6)15/h2,5,13H,3-4H2,1H3,(H,11,14)(H2,10,12,15,16)
InChIKeySEYRLWYCTRCIFS-UHFFFAOYSA-N
MW243.22 g/mol
LogP-2.20
Rot. Bonds5

About N-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide

N-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (PubChem CID 106182249) has the molecular formula C9H13N3O5 and a molecular weight of 243.22 g/mol. Its IUPAC name is N-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
PubChem CID106182249
Molecular FormulaC9H13N3O5
Molecular Weight243.22 g/mol
Exact Mass243.09
IUPAC NameN-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
SMILESCOCC(CO)NC(=O)c1c[nH]c(=O)[nH]c1=O
InChIInChI=1S/C9H13N3O5/c1-17-4-5(3-13)11-7(14)6-2-10-9(16)12-8(6)15/h2,5,13H,3-4H2,1H3,(H,11,14)(H2,10,12,15,16)
InChIKeySEYRLWYCTRCIFS-UHFFFAOYSA-N
XLogP-2.20
TPSA124.28 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.22
LogP ≤ 5-2.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,3-dihydroxypropan-2-yl)-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 139775780
5-[(1-methoxypropan-2-ylamino)methyl]-1H-pyrimidine-2,4-dione
CID 141223435
3-(2-Methoxyethyl)-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carboxamide
CID 162426021
N-(2-hydroxyethyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 220479
N-(2-hydroxyethyl)-2,4-dioxo-1H-pyrimidine-5-carboxamide
CID 241890
Chloro-[3-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]-2-hydroxypropyl]mercury
CID 437441
5-[[[(2S)-1-hydroxybutan-2-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28724672
5-[[[(2R)-1-hydroxybutan-2-yl]amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28724674
5-[[(1-Hydroxy-2-methylpropan-2-yl)amino]methyl]-1,3-dimethylpyrimidine-2,4-dione
CID 28725608
(2R)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 28773308
(2S)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]propanoic acid
CID 28773310
(2R)-2-[(2,4-dioxo-1H-pyrimidine-5-carbonyl)amino]-3-hydroxypropanoic acid
CID 28773350

Frequently Asked Questions

What is the IUPAC name of N-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The IUPAC name of N-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide (CID 106182249) is N-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide.
What is the SMILES notation for N-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The canonical SMILES for N-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is COCC(CO)NC(=O)c1c[nH]c(=O)[nH]c1=O.
What is the InChIKey of N-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
The InChIKey is SEYRLWYCTRCIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O5/c1-17-4-5(3-13)11-7(14)6-2-10-9(16)12-8(6)15/h2,5,13H,3-4H2,1H3,(H,11,14)(H2,10,12,15,16).
What are the key properties of N-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide?
N-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide has a molecular weight of 243.22 g/mol, XLogP of -2.20, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-hydroxy-3-methoxypropan-2-yl)-2,4-dioxo-1H-pyrimidine-5-carboxamide is sourced from PubChem (CID 106182249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).