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

C18H26N4O3S — CID 31522940

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4,5-dimethylthiophene-2-carboxamide
SMILESCCCCN(C(=O)c1cc(C)c(C)s1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H26N4O3S/c1-5-7-9-21(17(24)13-10-11(3)12(4)26-13)14-15(19)22(8-6-2)18(25)20-16(14)23/h10H,5-9,19H2,1-4H3,(H,20,23,25)
InChIKeyJKSQOAFUHJKIAS-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.65
Rot. Bonds7

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

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4,5-dimethylthiophene-2-carboxamide (PubChem CID 31522940) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4,5-dimethylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4,5-dimethylthiophene-2-carboxamide
PubChem CID31522940
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4,5-dimethylthiophene-2-carboxamide
SMILESCCCCN(C(=O)c1cc(C)c(C)s1)c1c(N)n(CCC)c(=O)[nH]c1=O
InChIInChI=1S/C18H26N4O3S/c1-5-7-9-21(17(24)13-10-11(3)12(4)26-13)14-15(19)22(8-6-2)18(25)20-16(14)23/h10H,5-9,19H2,1-4H3,(H,20,23,25)
InChIKeyJKSQOAFUHJKIAS-UHFFFAOYSA-N
XLogP2.65
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.50
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide
CID 51155080
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(3-methoxypropyl)-4,5-dimethylthiophene-2-carboxamide
CID 31493312
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1-butyl-3-ethylurea
CID 9438137
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-methyl-N-(3-methylbutyl)thiophene-2-carboxamide
CID 26185355
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-5,6-dichloropyridine-3-carboxamide
CID 4796613
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-3-methylbut-2-enamide
CID 30659872
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,4-difluorobenzamide
CID 30434613
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4-chlorobutanamide
CID 2113269
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-butyl-3,5-dimethylbenzamide
CID 4816306
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butylpentanamide
CID 31491993
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-butyl-6-methylpyridine-3-carboxamide
CID 30289922
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-butylpyridine-3-carboxamide
CID 16550113

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4,5-dimethylthiophene-2-carboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4,5-dimethylthiophene-2-carboxamide (CID 31522940) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4,5-dimethylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4,5-dimethylthiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4,5-dimethylthiophene-2-carboxamide is CCCCN(C(=O)c1cc(C)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-4,5-dimethylthiophene-2-carboxamide?
The InChIKey is JKSQOAFUHJKIAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-5-7-9-21(17(24)13-10-11(3)12(4)26-13)14-15(19)22(8-6-2)18(25)20-16(14)23/h10H,5-9,19H2,1-4H3,(H,20,23,25).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4,5-dimethylthiophene-2-carboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-butyl-4,5-dimethylthiophene-2-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 2.65, 7 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-4,5-dimethylthiophene-2-carboxamide is sourced from PubChem (CID 31522940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).