N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide

C18H26N4O3S — CID 51155080

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2cc(C)c(CC)s2)c(=O)[nH]c1=O
InChIInChI=1S/C18H26N4O3S/c1-5-8-9-22-15(19)14(16(23)20-18(22)25)21(7-3)17(24)13-10-11(4)12(6-2)26-13/h10H,5-9,19H2,1-4H3,(H,20,23,25)
InChIKeyOWAAQHGJAIQPBY-UHFFFAOYSA-N
MW378.50 g/mol
LogP2.52
Rot. Bonds7

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide (PubChem CID 51155080) has the molecular formula C18H26N4O3S and a molecular weight of 378.50 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide
PubChem CID51155080
Molecular FormulaC18H26N4O3S
Molecular Weight378.50 g/mol
Exact Mass378.17
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(CC)C(=O)c2cc(C)c(CC)s2)c(=O)[nH]c1=O
InChIInChI=1S/C18H26N4O3S/c1-5-8-9-22-15(19)14(16(23)20-18(22)25)21(7-3)17(24)13-10-11(4)12(6-2)26-13/h10H,5-9,19H2,1-4H3,(H,20,23,25)
InChIKeyOWAAQHGJAIQPBY-UHFFFAOYSA-N
XLogP2.52
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 ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3,5-dimethyl-N-(2-methylpropyl)benzamide
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CID 26185355
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CID 29421741
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CID 29309908
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-5-bromo-N-(2-methylpropyl)thiophene-2-carboxamide
CID 24686909
1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-3-butyl-1-ethylthiourea
CID 9094343
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-4-(3,5-dimethylpyrazol-1-yl)-N-ethylbenzamide
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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide (CID 51155080) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide is CCCCn1c(N)c(N(CC)C(=O)c2cc(C)c(CC)s2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide?
The InChIKey is OWAAQHGJAIQPBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O3S/c1-5-8-9-22-15(19)14(16(23)20-18(22)25)21(7-3)17(24)13-10-11(4)12(6-2)26-13/h10H,5-9,19H2,1-4H3,(H,20,23,25).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide has a molecular weight of 378.50 g/mol, XLogP of 2.52, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N,5-diethyl-4-methylthiophene-2-carboxamide is sourced from PubChem (CID 51155080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).