N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide

C21H24N4O3S — CID 26186335

IUPACN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2sccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C21H24N4O3S/c1-3-4-11-24-18(22)16(19(26)23-21(24)28)25(13-15-8-6-5-7-9-15)20(27)17-14(2)10-12-29-17/h5-10,12H,3-4,11,13,22H2,1-2H3,(H,23,26,28)
InChIKeyJDCXMFJVLPUUGX-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.14
Rot. Bonds7

About N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide

N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide (PubChem CID 26186335) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide
PubChem CID26186335
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide
SMILESCCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2sccc2C)c(=O)[nH]c1=O
InChIInChI=1S/C21H24N4O3S/c1-3-4-11-24-18(22)16(19(26)23-21(24)28)25(13-15-8-6-5-7-9-15)20(27)17-14(2)10-12-29-17/h5-10,12H,3-4,11,13,22H2,1-2H3,(H,23,26,28)
InChIKeyJDCXMFJVLPUUGX-UHFFFAOYSA-N
XLogP3.14
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.14
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-benzylfuran-2-carboxamide
CID 18084185
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylbut-2-enamide
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N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,5-dimethylpyrazole-3-carboxamide
CID 55883038
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-5-bromofuran-2-carboxamide
CID 26186357
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2,3-dichlorobenzamide
CID 26186362
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzylcyclobutanecarboxamide
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1-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-1-benzyl-3-propan-2-ylthiourea
CID 9093761
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-(4-ethyl-6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)acetamide
CID 55412491
2-[[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylcarbamothioyl]amino]ethyl-dimethylazanium
CID 9093764
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[4-(trifluoromethyl)phenyl]acetamide
CID 27134282
6-amino-5-[benzyl-[(2-methylphenyl)methyl]amino]-1-butylpyrimidine-2,4-dione
CID 34653306
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-6-(N-methylanilino)pyridine-3-carboxamide
CID 112830376

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide?
The IUPAC name of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide (CID 26186335) is N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide.
What is the SMILES notation for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide?
The canonical SMILES for N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide is CCCCn1c(N)c(N(Cc2ccccc2)C(=O)c2sccc2C)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide?
The InChIKey is JDCXMFJVLPUUGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-3-4-11-24-18(22)16(19(26)23-21(24)28)25(13-15-8-6-5-7-9-15)20(27)17-14(2)10-12-29-17/h5-10,12H,3-4,11,13,22H2,1-2H3,(H,23,26,28).
What are the key properties of N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide?
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-3-methylthiophene-2-carboxamide has a molecular weight of 412.52 g/mol, XLogP of 3.14, 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-benzyl-3-methylthiophene-2-carboxamide is sourced from PubChem (CID 26186335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).