methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate

C11H14N2O3 — CID 136729563

IUPACmethyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H14N2O3/c1-16-11(15)10-12-8(6-9(14)13-10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyMASXTRRWGFFBSM-UHFFFAOYSA-N
MW222.24 g/mol
LogP1.21
Rot. Bonds2

About methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate

methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate (PubChem CID 136729563) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate
PubChem CID136729563
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Namemethyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C2CCCC2)cc(=O)[nH]1
InChIInChI=1S/C11H14N2O3/c1-16-11(15)10-12-8(6-9(14)13-10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,13,14)
InChIKeyMASXTRRWGFFBSM-UHFFFAOYSA-N
XLogP1.21
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 6-cyclopentyl-4-sulfanylidene-1H-pyrimidine-2-carboxylate
CID 106481835
methyl 4-cyclohexyl-6-methylpyrimidine-2-carboxylate
CID 116895236
methyl 2-cyclopentyl-6-oxo-1H-pyridine-4-carboxylate
CID 72705016
2-cyclobutyl-4-cyclopentyl-1H-pyrimidin-6-one
CID 136729492
4-cyclopentyl-2-methylsulfanyl-1H-pyrimidin-6-one
CID 135947962
methyl 2-cyclopentyl-4-hydroxy-6-oxo-1H-pyridine-3-carboxylate
CID 91608960
4-cyclopentyl-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 136983286
4-cyclopentyl-2-(1-methoxycyclohexyl)-1H-pyrimidin-6-one
CID 136964163
4-cyclopentyl-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136729575
4-cyclopentyl-2-(4,4-dimethylcyclohexyl)-1H-pyrimidin-6-one
CID 136729426
methyl 6-cyclobutyl-2-cyclopropylpyrimidine-4-carboxylate
CID 122239307
4-cyclopentyl-2-(3-ethoxypentan-3-yl)-1H-pyrimidin-6-one
CID 136964169

Frequently Asked Questions

What is the IUPAC name of methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate (CID 136729563) is methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate is COC(=O)c1nc(C2CCCC2)cc(=O)[nH]1.
What is the InChIKey of methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate?
The InChIKey is MASXTRRWGFFBSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-16-11(15)10-12-8(6-9(14)13-10)7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,12,13,14).
What are the key properties of methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate?
methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate has a molecular weight of 222.24 g/mol, XLogP of 1.21, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-cyclopentyl-6-oxo-1H-pyrimidine-2-carboxylate is sourced from PubChem (CID 136729563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).