methyl 3-butyl-4,6-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

C12H20N2O3 — CID 42632149

IUPACmethyl 3-butyl-4,6-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCCCN1C(=O)NC(C)C(C(=O)OC)=C1C
InChIInChI=1S/C12H20N2O3/c1-5-6-7-14-9(3)10(11(15)17-4)8(2)13-12(14)16/h8H,5-7H2,1-4H3,(H,13,16)
InChIKeyZPHBKWPYGBKNJI-UHFFFAOYSA-N
MW240.30 g/mol
LogP1.65
Rot. Bonds4

About methyl 3-butyl-4,6-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate

methyl 3-butyl-4,6-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (PubChem CID 42632149) has the molecular formula C12H20N2O3 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl 3-butyl-4,6-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-butyl-4,6-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
PubChem CID42632149
Molecular FormulaC12H20N2O3
Molecular Weight240.30 g/mol
Exact Mass240.15
IUPAC Namemethyl 3-butyl-4,6-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
SMILESCCCCN1C(=O)NC(C)C(C(=O)OC)=C1C
InChIInChI=1S/C12H20N2O3/c1-5-6-7-14-9(3)10(11(15)17-4)8(2)13-12(14)16/h8H,5-7H2,1-4H3,(H,13,16)
InChIKeyZPHBKWPYGBKNJI-UHFFFAOYSA-N
XLogP1.65
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 3-butyl-6-(3,4-difluorophenyl)-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 51110622
methyl (6R)-3-butyl-6-[4-(cyclopropanecarbonylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7347413
methyl 3-butyl-6-[4-(3,3-dimethylbutanoylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 42753505
methyl 3-butyl-4-methyl-6-[3-(2-methylpropanoylamino)phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 42756645
methyl 3-butyl-6-[4-[(4-methoxybenzoyl)amino]phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 4684223
methyl 3-butyl-4-methyl-6-[4-[(3-nitrobenzoyl)amino]phenyl]-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 3953927
methyl 3-butyl-6-[3-(cyclobutanecarbonylamino)phenyl]-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 42756649
methyl (6S)-6-(3-benzamidophenyl)-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 7271511
ethyl (6S)-3-butyl-4-methyl-6-(4-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate
CID 32955023
ethyl (6S)-3-butyl-4-methyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate
CID 92970738
methyl 6-[4-(decanoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate
CID 42756561
methyl (6S)-3-butyl-4-methyl-2-oxo-6-[3-[(4-phenylbenzoyl)amino]phenyl]-1,6-dihydropyrimidine-5-carboxylate
CID 93098677

Frequently Asked Questions

What is the IUPAC name of methyl 3-butyl-4,6-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The IUPAC name of methyl 3-butyl-4,6-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate (CID 42632149) is methyl 3-butyl-4,6-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate.
What is the SMILES notation for methyl 3-butyl-4,6-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The canonical SMILES for methyl 3-butyl-4,6-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is CCCCN1C(=O)NC(C)C(C(=O)OC)=C1C.
What is the InChIKey of methyl 3-butyl-4,6-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
The InChIKey is ZPHBKWPYGBKNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O3/c1-5-6-7-14-9(3)10(11(15)17-4)8(2)13-12(14)16/h8H,5-7H2,1-4H3,(H,13,16).
What are the key properties of methyl 3-butyl-4,6-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate?
methyl 3-butyl-4,6-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 1.65, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-butyl-4,6-dimethyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate is sourced from PubChem (CID 42632149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).