methyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate

C14H20N2O4 — CID 137241318

IUPACmethyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(OC)CCC(c2nc(C)cc(=O)[nH]2)CC1
InChIInChI=1S/C14H20N2O4/c1-9-8-11(17)16-12(15-9)10-4-6-14(20-3,7-5-10)13(18)19-2/h8,10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyWLQDQNXXXPUSAY-UHFFFAOYSA-N
MW280.32 g/mol
LogP1.29
Rot. Bonds3

About methyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate

methyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate (PubChem CID 137241318) has the molecular formula C14H20N2O4 and a molecular weight of 280.32 g/mol. Its IUPAC name is methyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate
PubChem CID137241318
Molecular FormulaC14H20N2O4
Molecular Weight280.32 g/mol
Exact Mass280.14
IUPAC Namemethyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate
SMILESCOC(=O)C1(OC)CCC(c2nc(C)cc(=O)[nH]2)CC1
InChIInChI=1S/C14H20N2O4/c1-9-8-11(17)16-12(15-9)10-4-6-14(20-3,7-5-10)13(18)19-2/h8,10H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyWLQDQNXXXPUSAY-UHFFFAOYSA-N
XLogP1.29
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.32
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 1-methoxy-4-(4-methyl-6-methylsulfinylpyrimidin-2-yl)cyclohexane-1-carboxylate
CID 129125727
methyl 1-methoxy-4-[1-(oxetan-3-yl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]cyclohexane-1-carboxylate
CID 168853534
methyl 4-[1-(cyclopropylmethyl)-4-oxo-5H-pyrazolo[5,4-d]pyrimidin-6-yl]-1-methoxycyclohexane-1-carboxylate
CID 168853603
methyl 4-(4-chloro-1-methylpyrazolo[5,4-d]pyrimidin-6-yl)-1-methoxycyclohexane-1-carboxylate
CID 168853533
2-[1-(1,2-dimethylpiperidine-2-carbonyl)azetidin-3-yl]-4-methyl-1H-pyrimidin-6-one
CID 136804107
4-methyl-2-(1-propanoylpiperidin-3-yl)-1H-pyrimidin-6-one
CID 136804079
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-(2-methoxy-2-oxoethyl)amino]acetate
CID 137007673
4-methyl-2-[1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136804115
2-cyclopropyl-4-[(4-methoxy-2,2-dimethylbutyl)amino]-1H-pyrimidin-6-one
CID 136723592
methyl 2-[(2-cyclopropyl-6-oxo-1H-pyrimidin-4-yl)-methylamino]acetate
CID 137007497
2-(1-methoxy-4,4-dimethylcyclohexyl)-4-methyl-1H-pyrimidin-6-one
CID 136963567
4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 136729426

Frequently Asked Questions

What is the IUPAC name of methyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate?
The IUPAC name of methyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate (CID 137241318) is methyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate.
What is the SMILES notation for methyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate?
The canonical SMILES for methyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate is COC(=O)C1(OC)CCC(c2nc(C)cc(=O)[nH]2)CC1.
What is the InChIKey of methyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate?
The InChIKey is WLQDQNXXXPUSAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4/c1-9-8-11(17)16-12(15-9)10-4-6-14(20-3,7-5-10)13(18)19-2/h8,10H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of methyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate?
methyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate has a molecular weight of 280.32 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methoxy-4-(4-methyl-6-oxo-1H-pyrimidin-2-yl)cyclohexane-1-carboxylate is sourced from PubChem (CID 137241318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).