N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)thiophene-2-carboxamide

C17H24N4O3S — CID 18084095

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2cccs2)c(=O)[nH]c1=O
InChIInChI=1S/C17H24N4O3S/c1-4-5-8-20-14(18)13(15(22)19-17(20)24)21(10-11(2)3)16(23)12-7-6-9-25-12/h6-7,9,11H,4-5,8,10,18H2,1-3H3,(H,19,22,24)
InChIKeyRWUVIHDFGMVXSW-UHFFFAOYSA-N
MW364.47 g/mol
LogP2.28
Rot. Bonds7

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

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)thiophene-2-carboxamide (PubChem CID 18084095) has the molecular formula C17H24N4O3S and a molecular weight of 364.47 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)thiophene-2-carboxamide
PubChem CID18084095
Molecular FormulaC17H24N4O3S
Molecular Weight364.47 g/mol
Exact Mass364.16
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)thiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(CC(C)C)C(=O)c2cccs2)c(=O)[nH]c1=O
InChIInChI=1S/C17H24N4O3S/c1-4-5-8-20-14(18)13(15(22)19-17(20)24)21(10-11(2)3)16(23)12-7-6-9-25-12/h6-7,9,11H,4-5,8,10,18H2,1-3H3,(H,19,22,24)
InChIKeyRWUVIHDFGMVXSW-UHFFFAOYSA-N
XLogP2.28
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)thiophene-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)thiophene-2-carboxamide (CID 18084095) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)thiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)thiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)thiophene-2-carboxamide is CCCCn1c(N)c(N(CC(C)C)C(=O)c2cccs2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)thiophene-2-carboxamide?
The InChIKey is RWUVIHDFGMVXSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3S/c1-4-5-8-20-14(18)13(15(22)19-17(20)24)21(10-11(2)3)16(23)12-7-6-9-25-12/h6-7,9,11H,4-5,8,10,18H2,1-3H3,(H,19,22,24).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)thiophene-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-(2-methylpropyl)thiophene-2-carboxamide has a molecular weight of 364.47 g/mol, XLogP of 2.28, 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-(2-methylpropyl)thiophene-2-carboxamide is sourced from PubChem (CID 18084095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).