N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide

C15H18N4O3 — CID 52895782

IUPACN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
SMILESCCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N4O3/c1-3-11(20)18(2)12-13(16)19(15(22)17-14(12)21)9-10-7-5-4-6-8-10/h4-8H,3,9,16H2,1-2H3,(H,17,21,22)
InChIKeySGNFPJGKDMLVML-UHFFFAOYSA-N
MW302.33 g/mol
LogP0.54
Rot. Bonds4

About N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide

N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide (PubChem CID 52895782) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
PubChem CID52895782
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC NameN-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide
SMILESCCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O
InChIInChI=1S/C15H18N4O3/c1-3-11(20)18(2)12-13(16)19(15(22)17-14(12)21)9-10-7-5-4-6-8-10/h4-8H,3,9,16H2,1-2H3,(H,17,21,22)
InChIKeySGNFPJGKDMLVML-UHFFFAOYSA-N
XLogP0.54
TPSA101.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-3-phenylbutanamide
CID 8025303
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-2-[methyl(2-methylprop-2-enyl)amino]acetamide
CID 8635399
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-4-ethyl-N-methylbenzamide
CID 7998139
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(4-methoxyphenoxy)-N-methylacetamide
CID 8801057
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-(2-methoxyethyl)propanamide
CID 52895438
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(4-chlorophenyl)methyl-methylamino]-N-methylacetamide
CID 4848050
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-5-chloro-N-methylthiophene-2-carboxamide
CID 55336833
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl]-methyl-[(1S)-1-phenylethyl]azanium
CID 8635442
[2-[(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-methylamino]-2-oxoethyl] 3-hydroxynaphthalene-2-carboxylate
CID 24687985
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-[(3-fluorophenyl)methyl-methylamino]-N-methylacetamide
CID 4848053
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methyl-4-(2-methylphenoxy)butanamide
CID 55537745
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-2-(2,5-dichlorophenyl)sulfanyl-N-methylacetamide
CID 55336893

Frequently Asked Questions

What is the IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide?
The IUPAC name of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide (CID 52895782) is N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide.
What is the SMILES notation for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide?
The canonical SMILES for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide is CCC(=O)N(C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O.
What is the InChIKey of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide?
The InChIKey is SGNFPJGKDMLVML-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-3-11(20)18(2)12-13(16)19(15(22)17-14(12)21)9-10-7-5-4-6-8-10/h4-8H,3,9,16H2,1-2H3,(H,17,21,22).
What are the key properties of N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide?
N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide has a molecular weight of 302.33 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-1-benzyl-2,4-dioxopyrimidin-5-yl)-N-methylpropanamide is sourced from PubChem (CID 52895782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).