methyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate

C14H20N4O4 — CID 118543329

IUPACmethyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate
SMILESC=C1NC(=O)NC(C(=O)NC2CCCC(C(=O)OC)C2)=C1N
InChIInChI=1S/C14H20N4O4/c1-7-10(15)11(18-14(21)16-7)12(19)17-9-5-3-4-8(6-9)13(20)22-2/h8-9H,1,3-6,15H2,2H3,(H,17,19)(H2,16,18,21)
InChIKeyKUMRRCKYWBIYMS-UHFFFAOYSA-N
MW308.34 g/mol
LogP-0.17
Rot. Bonds3

About methyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate

methyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate (PubChem CID 118543329) has the molecular formula C14H20N4O4 and a molecular weight of 308.34 g/mol. Its IUPAC name is methyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate
PubChem CID118543329
Molecular FormulaC14H20N4O4
Molecular Weight308.34 g/mol
Exact Mass308.15
IUPAC Namemethyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate
SMILESC=C1NC(=O)NC(C(=O)NC2CCCC(C(=O)OC)C2)=C1N
InChIInChI=1S/C14H20N4O4/c1-7-10(15)11(18-14(21)16-7)12(19)17-9-5-3-4-8(6-9)13(20)22-2/h8-9H,1,3-6,15H2,2H3,(H,17,19)(H2,16,18,21)
InChIKeyKUMRRCKYWBIYMS-UHFFFAOYSA-N
XLogP-0.17
TPSA122.55 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.34
LogP ≤ 5-0.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze methyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-methylidene-2-oxo-N-[(1S,3R)-3-phenylcyclopentyl]-1H-pyrimidine-6-carboxamide
CID 118543346
trans-dimethyl (1R,3R)-cyclohexane-1,3-dicarboxylate
CID 83819230
5-amino-4-methylidene-2-oxo-N-(4,5,6,7-tetrahydro-1-benzothiophen-7-yl)-1H-pyrimidine-6-carboxamide
CID 118543322
methyl 3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]cyclohexane-1-carboxylate
CID 75429682
cis-methyl (1R,3S)-3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]cyclohexane-1-carboxylate
CID 97324780
trans-methyl (1R,3R)-3-[[4-(2-amino-2-oxoethoxy)-3,5-dimethoxybenzoyl]amino]cyclohexane-1-carboxylate
CID 97324779
cis-methyl (1S,3R)-3-[(3-chlorobenzoyl)amino]cyclohexane-1-carboxylate
CID 156759054
methyl 3-(cyclohexylamino)cyclohexane-1-carboxylate
CID 113351735
cis-methyl (1S,3R)-3-(phenylmethoxycarbonylamino)cyclohexane-1-carboxylate
CID 124632395
cis-methyl (1S,3R)-3-aminocyclohexane-1-carboxylate;cis-methyl (1R,3S)-3-aminocyclohexane-1-carboxylate;dihydrochloride
CID 170996917
5-amino-N-[4-[3-(3,4-dichlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]-4-methylidene-2-oxo-1H-pyrimidine-6-carboxamide
CID 118543324
methyl cyclobutanecarboxylate;hydrate
CID 175300594

Frequently Asked Questions

What is the IUPAC name of methyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate (CID 118543329) is methyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate is C=C1NC(=O)NC(C(=O)NC2CCCC(C(=O)OC)C2)=C1N.
What is the InChIKey of methyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate?
The InChIKey is KUMRRCKYWBIYMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O4/c1-7-10(15)11(18-14(21)16-7)12(19)17-9-5-3-4-8(6-9)13(20)22-2/h8-9H,1,3-6,15H2,2H3,(H,17,19)(H2,16,18,21).
What are the key properties of methyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate?
methyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate has a molecular weight of 308.34 g/mol, XLogP of -0.17, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[(5-amino-4-methylidene-2-oxo-1H-pyrimidine-6-carbonyl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 118543329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).