methyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate

C11H16N2O4 — CID 59363764

IUPACmethyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate
SMILESCCCCn1c(C(=O)OC)cc(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O4/c1-4-5-6-13-8(10(15)17-3)7-9(14)12(2)11(13)16/h7H,4-6H2,1-3H3
InChIKeyYBOAQQPRVMKZOA-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.13
Rot. Bonds4

About methyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate

methyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate (PubChem CID 59363764) has the molecular formula C11H16N2O4 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate
PubChem CID59363764
Molecular FormulaC11H16N2O4
Molecular Weight240.26 g/mol
Exact Mass240.11
IUPAC Namemethyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate
SMILESCCCCn1c(C(=O)OC)cc(=O)n(C)c1=O
InChIInChI=1S/C11H16N2O4/c1-4-5-6-13-8(10(15)17-3)7-9(14)12(2)11(13)16/h7H,4-6H2,1-3H3
InChIKeyYBOAQQPRVMKZOA-UHFFFAOYSA-N
XLogP0.13
TPSA70.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Methyl 1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 14028158
Dimethyl 2-((2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)amino)fumarate
CID 12285744
Orotic acid, 1,3-dimethyl-, methyl ester
CID 557715
2-Butenedioic acid,4-dioxopyrimidin-1-yl]-, diethyl ester, cis-
CID 5468905
Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-propynyl-, (Z)-
CID 5469884
Thymine,3-bis[1,2-bis(ethoxycarbonyl)ethenyl]-
CID 6382533
2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylamino)-fumaric acid dimethyl ester
CID 71299799
(2,4-Dioxo-1,2,3,4-tetrahydro-pyrimidin-5-ylamino)-fumaric acid dimethyl ester
CID 12472438
Ethyl 1-methyl-2,6-dioxo-1,2,3,6-tetrahydropyrimidine-4-carboxylate
CID 130005141
Ethyl 1,3-dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-4-pyrimidinecarboxylate
CID 362785
2-Butenedioic acid,4-dioxopyrimidin-1-yl-, diethyl ester, (E)-
CID 5468904
Uracil,2-bis(ethoxycarbonyl)ethenyl]-3-(2-propenyl)-, trans
CID 5468906

Frequently Asked Questions

What is the IUPAC name of methyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate?
The IUPAC name of methyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate (CID 59363764) is methyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate.
What is the SMILES notation for methyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate?
The canonical SMILES for methyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate is CCCCn1c(C(=O)OC)cc(=O)n(C)c1=O.
What is the InChIKey of methyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate?
The InChIKey is YBOAQQPRVMKZOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O4/c1-4-5-6-13-8(10(15)17-3)7-9(14)12(2)11(13)16/h7H,4-6H2,1-3H3.
What are the key properties of methyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate?
methyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 0.13, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-butyl-1-methyl-2,6-dioxopyrimidine-4-carboxylate is sourced from PubChem (CID 59363764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).