2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

C20H23N5O3S — CID 78836330

IUPAC2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CN(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H23N5O3S/c1-23(12-15-9-6-10-29-15)16(26)13-24(2)17-18(21)25(20(28)22-19(17)27)11-14-7-4-3-5-8-14/h3-10H,11-13,21H2,1-2H3,(H,22,27,28)
InChIKeyDGLMHPKUYJVNAV-UHFFFAOYSA-N
MW413.50 g/mol
LogP1.32
Rot. Bonds7

About 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide

2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 78836330) has the molecular formula C20H23N5O3S and a molecular weight of 413.50 g/mol. Its IUPAC name is 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
PubChem CID78836330
Molecular FormulaC20H23N5O3S
Molecular Weight413.50 g/mol
Exact Mass413.15
IUPAC Name2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide
SMILESCN(Cc1cccs1)C(=O)CN(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C20H23N5O3S/c1-23(12-15-9-6-10-29-15)16(26)13-24(2)17-18(21)25(20(28)22-19(17)27)11-14-7-4-3-5-8-14/h3-10H,11-13,21H2,1-2H3,(H,22,27,28)
InChIKeyDGLMHPKUYJVNAV-UHFFFAOYSA-N
XLogP1.32
TPSA104.43 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.50
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide with MolForge

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Related Compounds

2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(thiophen-2-ylmethyl)acetamide
CID 34646506
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
CID 52895782
N-(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-thiophen-2-ylpropanamide
CID 17411815
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 4848053
6-amino-1-benzyl-5-[methyl(pyridin-3-ylmethyl)amino]pyrimidine-2,4-dione
CID 78807351
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-benzyl-2-[methyl(methylsulfonyl)amino]acetamide
CID 55605012
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-chlorophenyl)methyl-methylamino]-N-methylacetamide
CID 4848050
(E)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-ethyl-3-thiophen-2-ylprop-2-enamide
CID 8801167
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(2-methylprop-2-enyl)amino]acetamide
CID 8635399
6-amino-1-benzyl-5-[methyl-[3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propyl]amino]pyrimidine-2,4-dione
CID 55499781
(3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide
CID 8025303
2-[(6-amino-1-butyl-2,4-dioxopyrimidin-5-yl)-benzylamino]-N-(2-thiophen-2-ylethyl)acetamide
CID 30871118

Frequently Asked Questions

What is the IUPAC name of 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide (CID 78836330) is 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is CN(Cc1cccs1)C(=O)CN(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DGLMHPKUYJVNAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3S/c1-23(12-15-9-6-10-29-15)16(26)13-24(2)17-18(21)25(20(28)22-19(17)27)11-14-7-4-3-5-8-14/h3-10H,11-13,21H2,1-2H3,(H,22,27,28).
What are the key properties of 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide?
2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 413.50 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-N-methyl-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 78836330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).