N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

C14H19N3O3 — CID 164634372

IUPACN-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESC[C@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)C1=CCCCC1
InChIInChI=1S/C14H19N3O3/c1-9(10-6-4-3-5-7-10)15-12(18)11-8-17(2)14(20)16-13(11)19/h6,8-9H,3-5,7H2,1-2H3,(H,15,18)(H,16,19,20)/t9-/m0/s1
InChIKeyUTJHTFHYQJRXMV-VIFPVBQESA-N
MW277.32 g/mol
LogP0.69
Rot. Bonds3

About N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide

N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 164634372) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
PubChem CID164634372
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC NameN-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
SMILESC[C@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)C1=CCCCC1
InChIInChI=1S/C14H19N3O3/c1-9(10-6-4-3-5-7-10)15-12(18)11-8-17(2)14(20)16-13(11)19/h6,8-9H,3-5,7H2,1-2H3,(H,15,18)(H,16,19,20)/t9-/m0/s1
InChIKeyUTJHTFHYQJRXMV-VIFPVBQESA-N
XLogP0.69
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-[1-(cyclohexen-1-yl)ethyl]-2-cyclopropyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 74233383
N-[1-(cyclohexen-1-yl)ethyl]-2-(5-methyl-2,4-dioxopyrimidin-1-yl)acetamide
CID 131917992
N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 131912358
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 99927276
1-methyl-2,4-dioxo-N-propan-2-ylsulfonylpyrimidine-5-carboxamide
CID 154775362
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 166184194
1-methyl-N-(methylcarbamoyl)-2,4-dioxopyrimidine-5-carboxamide
CID 819273
N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
CID 131890483
4-[[(1S)-1-(cyclohexen-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 126444702
N-(1,4,5,6,7,8-hexahydrocyclohepta[d]pyrazol-3-ylmethyl)-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 77094219
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(piperidine-1-carbonyl)pyrazine-2-carboxamide
CID 125175923
N-butyl-1-methyl-2,4-dioxopyrimidine-5-carboxamide
CID 25185739

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide (CID 164634372) is N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide is C[C@H](NC(=O)c1cn(C)c(=O)[nH]c1=O)C1=CCCCC1.
What is the InChIKey of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is UTJHTFHYQJRXMV-VIFPVBQESA-N. The full InChI is InChI=1S/C14H19N3O3/c1-9(10-6-4-3-5-7-10)15-12(18)11-8-17(2)14(20)16-13(11)19/h6,8-9H,3-5,7H2,1-2H3,(H,15,18)(H,16,19,20)/t9-/m0/s1.
What are the key properties of N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide?
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 277.32 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 164634372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).