1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide

C18H21N3O4 — CID 66522623

IUPAC1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H21N3O4/c22-15(19-13-9-5-2-6-10-13)14-16(23)20-18(25)21(17(14)24)11-12-7-3-1-4-8-12/h1,3-4,7-8,13,24H,2,5-6,9-11H2,(H,19,22)(H,20,23,25)
InChIKeyYZGTVHKSEPGUCU-UHFFFAOYSA-N
MW343.38 g/mol
LogP1.35
Rot. Bonds4

About 1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide

1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 66522623) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
PubChem CID66522623
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
SMILESO=C(NC1CCCCC1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C18H21N3O4/c22-15(19-13-9-5-2-6-10-13)14-16(23)20-18(25)21(17(14)24)11-12-7-3-1-4-8-12/h1,3-4,7-8,13,24H,2,5-6,9-11H2,(H,19,22)(H,20,23,25)
InChIKeyYZGTVHKSEPGUCU-UHFFFAOYSA-N
XLogP1.35
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzyl-N-cycloheptyl-2-oxo-1H-imidazole-4-carboxamide
CID 84576643
N-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 66522617
1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
CID 66522786
5-benzyl-N-cyclohexyl-2,4-dihydroxy-1H-pyrrole-3-carboxamide
CID 136636420
1-benzyl-N-cyclohexylpyrazole-4-carboxamide
CID 40710526
1-benzyl-6-hydroxy-5-[C-methyl-N-[[(2S)-oxolan-2-yl]methyl]carbonimidoyl]pyrimidine-2,4-dione
CID 937936
1-benzyl-N-cyclopentylpiperidine-4-carboxamide
CID 2186968
(2S)-2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-cyclopentylpropanamide
CID 8933148
3-benzyl-N-cyclohexyl-4-oxophthalazine-1-carboxamide
CID 4811377
N-(1-benzylpiperidin-4-yl)-4-[(2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 22588176
6-amino-1-benzyl-5-(2-chloroacetyl)pyrimidine-2,4-dione
CID 5100314
5-benzyl-N-cyclohexyl-2,4-dioxopyrrolidine-3-carboxamide
CID 90901292

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide (CID 66522623) is 1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide is O=C(NC1CCCCC1)c1c(O)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is YZGTVHKSEPGUCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c22-15(19-13-9-5-2-6-10-13)14-16(23)20-18(25)21(17(14)24)11-12-7-3-1-4-8-12/h1,3-4,7-8,13,24H,2,5-6,9-11H2,(H,19,22)(H,20,23,25).
What are the key properties of 1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide?
1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 343.38 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 66522623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).