methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate

C13H19N3O4 — CID 137007750

IUPACmethyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Nc2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C13H19N3O4/c1-19-10-11(14-7-15-12(10)17)16-9-5-3-8(4-6-9)13(18)20-2/h7-9H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyUKEUCGJEQZRLEV-UHFFFAOYSA-N
MW281.31 g/mol
LogP0.92
Rot. Bonds4

About methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate

methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate (PubChem CID 137007750) has the molecular formula C13H19N3O4 and a molecular weight of 281.31 g/mol. Its IUPAC name is methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
PubChem CID137007750
Molecular FormulaC13H19N3O4
Molecular Weight281.31 g/mol
Exact Mass281.14
IUPAC Namemethyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate
SMILESCOC(=O)C1CCC(Nc2nc[nH]c(=O)c2OC)CC1
InChIInChI=1S/C13H19N3O4/c1-19-10-11(14-7-15-12(10)17)16-9-5-3-8(4-6-9)13(18)20-2/h7-9H,3-6H2,1-2H3,(H2,14,15,16,17)
InChIKeyUKEUCGJEQZRLEV-UHFFFAOYSA-N
XLogP0.92
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 50.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate with MolForge

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Related Compounds

4-[[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]methyl]cyclohexane-1-carboxylic acid
CID 136695117
cis-(1R,3S)-3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclopentane-1-carboxylic acid
CID 136876807
2-cyclohexyl-2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]acetic acid
CID 136958590
1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958614
1-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-4-methylcyclohexane-1-carboxylic acid
CID 136958625
3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]propanoic acid
CID 136958689
3-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136958839
4-[2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]ethyl]heptanoic acid
CID 136958993
2-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylic acid
CID 136959066
6-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]-2-methylheptanoic acid
CID 136959110
3-[1-(5-methoxy-6-oxo-1H-pyrimidin-4-yl)piperidin-3-yl]butanoic acid
CID 136959346
4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxamide
CID 136974484

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate?
The IUPAC name of methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate (CID 137007750) is methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate?
The canonical SMILES for methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate is COC(=O)C1CCC(Nc2nc[nH]c(=O)c2OC)CC1.
What is the InChIKey of methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate?
The InChIKey is UKEUCGJEQZRLEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4/c1-19-10-11(14-7-15-12(10)17)16-9-5-3-8(4-6-9)13(18)20-2/h7-9H,3-6H2,1-2H3,(H2,14,15,16,17).
What are the key properties of methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate?
methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate has a molecular weight of 281.31 g/mol, XLogP of 0.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-methoxy-6-oxo-1H-pyrimidin-4-yl)amino]cyclohexane-1-carboxylate is sourced from PubChem (CID 137007750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).