methyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate

C15H21N3O4 — CID 51090988

IUPACmethyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)Cn2cccnc2=O)CCC(C)CC1
InChIInChI=1S/C15H21N3O4/c1-11-4-6-15(7-5-11,13(20)22-2)17-12(19)10-18-9-3-8-16-14(18)21/h3,8-9,11H,4-7,10H2,1-2H3,(H,17,19)
InChIKeyWLCADHNCWXVMLA-UHFFFAOYSA-N
MW307.35 g/mol
LogP0.48
Rot. Bonds4

About methyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate

methyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate (PubChem CID 51090988) has the molecular formula C15H21N3O4 and a molecular weight of 307.35 g/mol. Its IUPAC name is methyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate
PubChem CID51090988
Molecular FormulaC15H21N3O4
Molecular Weight307.35 g/mol
Exact Mass307.15
IUPAC Namemethyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1(NC(=O)Cn2cccnc2=O)CCC(C)CC1
InChIInChI=1S/C15H21N3O4/c1-11-4-6-15(7-5-11,13(20)22-2)17-12(19)10-18-9-3-8-16-14(18)21/h3,8-9,11H,4-7,10H2,1-2H3,(H,17,19)
InChIKeyWLCADHNCWXVMLA-UHFFFAOYSA-N
XLogP0.48
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate (CID 51090988) is methyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate is COC(=O)C1(NC(=O)Cn2cccnc2=O)CCC(C)CC1.
What is the InChIKey of methyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate?
The InChIKey is WLCADHNCWXVMLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O4/c1-11-4-6-15(7-5-11,13(20)22-2)17-12(19)10-18-9-3-8-16-14(18)21/h3,8-9,11H,4-7,10H2,1-2H3,(H,17,19).
What are the key properties of methyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate?
methyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-1-[[2-(2-oxopyrimidin-1-yl)acetyl]amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 51090988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).