N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide

C19H28N4O3S — CID 24980608

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCCCN(C(=O)c1cc(CC)c(C)s1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H28N4O3S/c1-5-8-10-22(18(25)14-11-13(7-3)12(4)27-14)15-16(20)23(9-6-2)19(26)21-17(15)24/h11H,5-10,20H2,1-4H3,(H,21,24,26)
InChIKeyOUBRVXFPXWRTJH-UHFFFAOYSA-N
MW392.53 g/mol
LogP2.91
Rot. Bonds8

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide (PubChem CID 24980608) has the molecular formula C19H28N4O3S and a molecular weight of 392.53 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide
PubChem CID24980608
Molecular FormulaC19H28N4O3S
Molecular Weight392.53 g/mol
Exact Mass392.19
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide
SMILESCCCCN(C(=O)c1cc(CC)c(C)s1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C19H28N4O3S/c1-5-8-10-22(18(25)14-11-13(7-3)12(4)27-14)15-16(20)23(9-6-2)19(26)21-17(15)24/h11H,5-10,20H2,1-4H3,(H,21,24,26)
InChIKeyOUBRVXFPXWRTJH-UHFFFAOYSA-N
XLogP2.91
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.53
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 2528678
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-5-ethyl-N-(3-methoxypropyl)-4-methylthiophene-2-carboxamide
CID 9441723
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-2-carboxamide
CID 18283444
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 24979006
N-(6-Amino-1-butyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 24982707
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4,5-dibromo-N-(2-methylpropyl)thiophene-2-carboxamide
CID 25102362
N-[6-amino-1-(2-methylpropyl)-2,4-dioxopyrimidin-5-yl]-N-(2-methoxyethyl)-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carboxamide
CID 25162054
N-[2-[(3-fluorophenyl)methyl-methylamino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 4791592
N-[1-(4-Methyl-piperazine-1-carbonyl)-2-thiophen-2-yl-vinyl]-benzamide
CID 5342411
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-ethylthiophene-2-carboxamide
CID 8933620
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-propylthiophene-2-carboxamide
CID 8933630
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 8933877

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide (CID 24980608) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide is CCCCN(C(=O)c1cc(CC)c(C)s1)c1c(N)n(CCC)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide?
The InChIKey is OUBRVXFPXWRTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N4O3S/c1-5-8-10-22(18(25)14-11-13(7-3)12(4)27-14)15-16(20)23(9-6-2)19(26)21-17(15)24/h11H,5-10,20H2,1-4H3,(H,21,24,26).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide has a molecular weight of 392.53 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-ethyl-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 24980608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).