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

C12H17N3O4 — CID 66522617

IUPACN-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1c(O)c(C(=O)NC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O4/c1-15-11(18)8(10(17)14-12(15)19)9(16)13-7-5-3-2-4-6-7/h7,18H,2-6H2,1H3,(H,13,16)(H,14,17,19)
InChIKeyLYIZXGIFONSPPS-UHFFFAOYSA-N
MW267.28 g/mol
LogP-0.16
Rot. Bonds2

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

N-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 66522617) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is N-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID66522617
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC NameN-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESCn1c(O)c(C(=O)NC2CCCCC2)c(=O)[nH]c1=O
InChIInChI=1S/C12H17N3O4/c1-15-11(18)8(10(17)14-12(15)19)9(16)13-7-5-3-2-4-6-7/h7,18H,2-6H2,1H3,(H,13,16)(H,14,17,19)
InChIKeyLYIZXGIFONSPPS-UHFFFAOYSA-N
XLogP-0.16
TPSA104.19 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 5-0.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-6-hydroxy-2,4-dioxo-1-propan-2-ylpyrimidine-5-carboxamide
CID 66522785
1-(4-bromophenyl)-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
CID 66522786
1-benzyl-N-cyclohexyl-6-hydroxy-2,4-dioxopyrimidine-5-carboxamide
CID 66522623
N-cyclohexyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136911212
N-cycloheptyl-2,4-dimethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 136890080
N-cycloheptyl-1,4,6-trimethyl-2-oxopyridine-3-carboxamide
CID 110855496
N-cycloheptyl-1-methyl-5-oxo-4H-1,2,4-triazole-3-carboxamide
CID 136849809
N-cyclopropyl-6-hydroxy-4-oxo-2-sulfanylidene-1H-pyrimidine-5-carboxamide
CID 3728354
N-cyclohexyl-2,3,4,5,6-pentafluorobenzamide
CID 607051
N-cyclohexyl-2-[8-(cyclohexylamino)-3-methyl-2,6-dioxopurin-7-yl]acetamide
CID 657449
N-cyclopentyl-2,4,6-trimethylpyrimidine-5-carboxamide
CID 110848761
N-cycloheptyl-3,5-dimethyl-1H-pyrazole-4-carboxamide
CID 43582836

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 66522617) is N-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide is Cn1c(O)c(C(=O)NC2CCCCC2)c(=O)[nH]c1=O.
What is the InChIKey of N-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is LYIZXGIFONSPPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-15-11(18)8(10(17)14-12(15)19)9(16)13-7-5-3-2-4-6-7/h7,18H,2-6H2,1H3,(H,13,16)(H,14,17,19).
What are the key properties of N-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
N-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 267.28 g/mol, XLogP of -0.16, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-6-hydroxy-1-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 66522617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).