1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide

C12H19N3O3 — CID 84557715

IUPAC1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCC(C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O3/c1-8(2)5-6-13-10(16)9-7-14(3)12(18)15(4)11(9)17/h7-8H,5-6H2,1-4H3,(H,13,16)
InChIKeyXADNMDPHBAURIJ-UHFFFAOYSA-N
MW253.30 g/mol
LogP-0.14
Rot. Bonds4

About 1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide

1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide (PubChem CID 84557715) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide
PubChem CID84557715
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide
SMILESCC(C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O
InChIInChI=1S/C12H19N3O3/c1-8(2)5-6-13-10(16)9-7-14(3)12(18)15(4)11(9)17/h7-8H,5-6H2,1-4H3,(H,13,16)
InChIKeyXADNMDPHBAURIJ-UHFFFAOYSA-N
XLogP-0.14
TPSA73.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-dimethyl-2,4-dioxo-N-(4-pyrrolidin-1-ylbutyl)pyrimidine-5-carboxamide
CID 84555556
(E)-3-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)-N-(3-methylbutyl)prop-2-enamide
CID 17491136
N-(3-butoxypropyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84555533
1-methyl-N-(3-methylbutyl)-2-oxopyridine-4-carboxamide
CID 35556772
2-[(1,3-dimethyl-2,4-dioxopyrimidine-5-carbonyl)amino]butanoic acid
CID 84558327
1,3-dimethyl-2,4-dioxo-N-(pyridin-2-ylmethyl)pyrimidine-5-carboxamide
CID 84557714
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 166208789
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84555569
2-chloro-N-(3-methylbutyl)benzamide
CID 669760
N-(4-hydroxyphenyl)-1,3-dimethyl-2,4-dioxopyrimidine-5-carboxamide
CID 84550021
5-(2-hydroxy-5-methylbenzoyl)-N,1-bis(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 2368043
1-[4-[(2-chlorobenzoyl)amino]phenyl]-N-(3-methylbutyl)-2-oxopyridine-3-carboxamide
CID 53011449

Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide (CID 84557715) is 1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide is CC(C)CCNC(=O)c1cn(C)c(=O)n(C)c1=O.
What is the InChIKey of 1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide?
The InChIKey is XADNMDPHBAURIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-8(2)5-6-13-10(16)9-7-14(3)12(18)15(4)11(9)17/h7-8H,5-6H2,1-4H3,(H,13,16).
What are the key properties of 1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide?
1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide has a molecular weight of 253.30 g/mol, XLogP of -0.14, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-N-(3-methylbutyl)-2,4-dioxopyrimidine-5-carboxamide is sourced from PubChem (CID 84557715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).