N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide

C15H20N4O4S — CID 39724067

IUPACN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)c2ccsc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O4S/c1-3-5-19-12(16)11(13(20)17-15(19)22)18(6-7-23-2)14(21)10-4-8-24-9-10/h4,8-9H,3,5-7,16H2,1-2H3,(H,17,20,22)
InChIKeyUIFOJQVGVHSTEI-UHFFFAOYSA-N
MW352.42 g/mol
LogP0.88
Rot. Bonds7

About N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide (PubChem CID 39724067) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide.

Molecular Properties

Compound NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide
PubChem CID39724067
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC NameN-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide
SMILESCCCn1c(N)c(N(CCOC)C(=O)c2ccsc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H20N4O4S/c1-3-5-19-12(16)11(13(20)17-15(19)22)18(6-7-23-2)14(21)10-4-8-24-9-10/h4,8-9H,3,5-7,16H2,1-2H3,(H,17,20,22)
InChIKeyUIFOJQVGVHSTEI-UHFFFAOYSA-N
XLogP0.88
TPSA110.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 26291971
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-4-methylbenzamide
CID 4793993
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-ethoxy-3-methoxy-N-(2-methoxyethyl)benzamide
CID 55344791
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 4791005
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-2,5-dichloro-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 39773263
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-4-chloro-N-(2-methoxyethyl)-3-nitrobenzamide
CID 4847773
1-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-1,3-bis(2-methoxyethyl)thiourea
CID 9095201
4-[(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-(2-methoxyethyl)amino]-4-oxobutanoic acid
CID 2113064
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-(dimethylamino)-N-(2-methoxyethyl)benzamide
CID 26186064
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-5-(4-chlorophenyl)-N-(2-methoxyethyl)furan-2-carboxamide
CID 24980841
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)-3-pyrrolidin-1-ylsulfonylbenzamide
CID 4848554
(E)-N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-3-(furan-2-yl)-N-(2-methoxyethyl)prop-2-enamide
CID 6215046

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide?
The IUPAC name of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide (CID 39724067) is N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide.
What is the SMILES notation for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide?
The canonical SMILES for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide is CCCn1c(N)c(N(CCOC)C(=O)c2ccsc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide?
The InChIKey is UIFOJQVGVHSTEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-3-5-19-12(16)11(13(20)17-15(19)22)18(6-7-23-2)14(21)10-4-8-24-9-10/h4,8-9H,3,5-7,16H2,1-2H3,(H,17,20,22).
What are the key properties of N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide?
N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide has a molecular weight of 352.42 g/mol, XLogP of 0.88, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-2,4-dioxo-1-propylpyrimidin-5-yl)-N-(2-methoxyethyl)thiophene-3-carboxamide is sourced from PubChem (CID 39724067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).