N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

C13H19N3O3 — CID 17381709

IUPACN-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(=O)NC2CCCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H19N3O3/c1-15-10(8-11(17)16(2)13(15)19)12(18)14-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,14,18)
InChIKeyZDSITQRYYZTXIC-UHFFFAOYSA-N
MW265.31 g/mol
LogP0.15
Rot. Bonds2

About N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide

N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (PubChem CID 17381709) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
PubChem CID17381709
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC NameN-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide
SMILESCn1c(C(=O)NC2CCCCC2)cc(=O)n(C)c1=O
InChIInChI=1S/C13H19N3O3/c1-15-10(8-11(17)16(2)13(15)19)12(18)14-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,14,18)
InChIKeyZDSITQRYYZTXIC-UHFFFAOYSA-N
XLogP0.15
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-Cyclohexylamino-1,3-dimethyl-1H-pyrimidine-2,4-dione
CID 777234
N-hexyl-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 21204487
N-tert-butyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137635223
N-tert-butyl-2-(3-hexyl-4-methyl-2,6-dioxopyrimidin-1-yl)acetamide
CID 137648160
5-(Cyclohexylmethylamino)-1,3-dihydropyrimidine-2,4-dione
CID 899001
N-hexyl-5-(4-methylpiperazin-1-yl)-2,4-dioxopyrimidine-1-carboxamide
CID 71654889
N-hexyl-5-methylamino-2,4-dioxo-pyrimidine-1-carboxamide
CID 71654964
Uracil, 3-cyclohexyl-1,6-dimethyl-5-dimethylamino-
CID 116088
Uracil, 1-cyclohexyl-5-(dimethylamino)-6-methyl-
CID 208421
Uracil, 1-cyclohexyl-3,6-dimethyl-5-dimethylamino-
CID 208422
2,4(1h,3h)-Pyrimidinedione, 5-(cyclohexylamino)-
CID 255373
N-Isopropyl-1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxamide
CID 2227167

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The IUPAC name of N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide (CID 17381709) is N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide.
What is the SMILES notation for N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The canonical SMILES for N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is Cn1c(C(=O)NC2CCCCC2)cc(=O)n(C)c1=O.
What is the InChIKey of N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
The InChIKey is ZDSITQRYYZTXIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-15-10(8-11(17)16(2)13(15)19)12(18)14-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H,14,18).
What are the key properties of N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide?
N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide has a molecular weight of 265.31 g/mol, XLogP of 0.15, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-1,3-dimethyl-2,6-dioxopyrimidine-4-carboxamide is sourced from PubChem (CID 17381709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).