1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide

C15H15N3O5 — CID 122606857

IUPAC1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide
SMILESCC(=O)CNC(=O)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H15N3O5/c1-9(19)7-16-12(20)11-13(21)17-15(23)18(14(11)22)8-10-5-3-2-4-6-10/h2-6,22H,7-8H2,1H3,(H,16,20)(H,17,21,23)
InChIKeyHYJIWCNBXOPWQR-UHFFFAOYSA-N
MW317.30 g/mol
LogP-0.39
Rot. Bonds5

About 1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide

1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide (PubChem CID 122606857) has the molecular formula C15H15N3O5 and a molecular weight of 317.30 g/mol. Its IUPAC name is 1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide
PubChem CID122606857
Molecular FormulaC15H15N3O5
Molecular Weight317.30 g/mol
Exact Mass317.10
IUPAC Name1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide
SMILESCC(=O)CNC(=O)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H15N3O5/c1-9(19)7-16-12(20)11-13(21)17-15(23)18(14(11)22)8-10-5-3-2-4-6-10/h2-6,22H,7-8H2,1H3,(H,16,20)(H,17,21,23)
InChIKeyHYJIWCNBXOPWQR-UHFFFAOYSA-N
XLogP-0.39
TPSA121.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.30
LogP ≤ 5-0.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
CID 66522623
1-benzyl-5-(N-benzyl-C-methylcarbonimidoyl)-6-hydroxypyrimidine-2,4-dione
CID 747588
1-benzyl-6-hydroxy-5-(C-methyl-N-morpholin-4-ylcarbonimidoyl)pyrimidine-2,4-dione
CID 936497
N-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]pentanamide
CID 3540557
2-[(1-benzyl-6-hydroxy-2,4-dioxo-3-propylpyrimidine-5-carbonyl)amino]acetic acid
CID 24831663
1-[1-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)propylideneamino]-3-phenylthiourea
CID 3696348
1-benzyl-5-[(E)-C-ethyl-N-(naphthalen-1-ylamino)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
CID 135685287
1-benzyl-6-hydroxy-5-[C-methyl-N-[[(2S)-oxolan-2-yl]methyl]carbonimidoyl]pyrimidine-2,4-dione
CID 937936
1-benzyl-6-hydroxy-5-[C-methyl-N-(2-morpholin-4-ylethyl)carbonimidoyl]pyrimidine-2,4-dione
CID 1400115
N-[(E)-(1-benzyl-6-hydroxy-2,4-dioxopyrimidin-5-yl)methylideneamino]benzamide
CID 135421017
2,6-dihydroxy-N-(2-oxopropyl)benzamide
CID 107688759
6-amino-1-benzyl-5-(2-chloroacetyl)pyrimidine-2,4-dione
CID 5100314

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide?
The IUPAC name of 1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide (CID 122606857) is 1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide?
The canonical SMILES for 1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide is CC(=O)CNC(=O)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide?
The InChIKey is HYJIWCNBXOPWQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O5/c1-9(19)7-16-12(20)11-13(21)17-15(23)18(14(11)22)8-10-5-3-2-4-6-10/h2-6,22H,7-8H2,1H3,(H,16,20)(H,17,21,23).
What are the key properties of 1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide?
1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide has a molecular weight of 317.30 g/mol, XLogP of -0.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-hydroxy-2,4-dioxo-N-(2-oxopropyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 122606857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).