N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C16H24N4O3 — CID 99934095

IUPACN-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NC[C@H]1CCN(C2CCCCC2)C1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C16H24N4O3/c21-14-8-13(18-16(23)19-14)15(22)17-9-11-6-7-20(10-11)12-4-2-1-3-5-12/h8,11-12H,1-7,9-10H2,(H,17,22)(H2,18,19,21,23)/t11-/m1/s1
InChIKeyNWDJXVCVHBCARJ-LLVKDONJSA-N
MW320.39 g/mol
LogP0.45
Rot. Bonds4

About N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 99934095) has the molecular formula C16H24N4O3 and a molecular weight of 320.39 g/mol. Its IUPAC name is N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound NameN-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID99934095
Molecular FormulaC16H24N4O3
Molecular Weight320.39 g/mol
Exact Mass320.18
IUPAC NameN-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESO=C(NC[C@H]1CCN(C2CCCCC2)C1)c1cc(=O)[nH]c(=O)[nH]1
InChIInChI=1S/C16H24N4O3/c21-14-8-13(18-16(23)19-14)15(22)17-9-11-6-7-20(10-11)12-4-2-1-3-5-12/h8,11-12H,1-7,9-10H2,(H,17,22)(H2,18,19,21,23)/t11-/m1/s1
InChIKeyNWDJXVCVHBCARJ-LLVKDONJSA-N
XLogP0.45
TPSA98.06 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 50.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide with MolForge

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Related Compounds

N-cyclohexyl-2-(4-methyl-2,6-dioxo-3-pentylpyrimidin-1-yl)acetamide
CID 137644281
(2,6-dioxo(1,3-dihydropyrimidin-4-yl))-N-cyclohexylcarboxamide
CID 1084850
N'-({(2S,4S)-1-[(1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)carbonyl]-4-fluoropyrrolidin-2-yl}methyl)-N,N-dimethylurea
CID 70742043
2-Cyclohexylimidazo[1,5-c]pyrimidine-1,3,5,7-tetrone
CID 70521630
N-Cyclohexyl-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-4-pyrimidinecarboxamide
CID 17381709
N-(3-azabicyclo[3.1.0]hexan-6-yl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 43594393
6-[(3aS,6aS)-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 43594686
6-(2-methyl-3,3a,4,5,6,6a-hexahydro-2H-pyrrolo[2,3-c]pyrrole-1-carbonyl)-1H-pyrimidine-2,4-dione
CID 43595501
6-[(3aR,7aS)-5-amino-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carbonyl]-1H-pyrimidine-2,4-dione
CID 43596178
N-methyl-2,4-dioxo-N-piperidin-4-yl-1H-pyrimidine-6-carboxamide
CID 43602147
N-(2-aminocyclohexyl)-2,4-dioxo-1H-pyrimidine-6-carboxamide
CID 54905155
6-[4-(methylaminomethyl)piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
CID 55176062

Frequently Asked Questions

What is the IUPAC name of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 99934095) is N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is O=C(NC[C@H]1CCN(C2CCCCC2)C1)c1cc(=O)[nH]c(=O)[nH]1.
What is the InChIKey of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is NWDJXVCVHBCARJ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H24N4O3/c21-14-8-13(18-16(23)19-14)15(22)17-9-11-6-7-20(10-11)12-4-2-1-3-5-12/h8,11-12H,1-7,9-10H2,(H,17,22)(H2,18,19,21,23)/t11-/m1/s1.
What are the key properties of N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 320.39 g/mol, XLogP of 0.45, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3R)-1-cyclohexylpyrrolidin-3-yl]methyl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 99934095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).