N-[(1,3-dimethyl-2,4-dioxopteridin-6-yl)methyl]-N-phenylacetamide

C17H17N5O3 — CID 10854551

IUPACN-[(1,3-dimethyl-2,4-dioxopteridin-6-yl)methyl]-N-phenylacetamide
SMILESCC(=O)N(Cc1cnc2c(n1)c(=O)n(C)c(=O)n2C)c1ccccc1
InChIInChI=1S/C17H17N5O3/c1-11(23)22(13-7-5-4-6-8-13)10-12-9-18-15-14(19-12)16(24)21(3)17(25)20(15)2/h4-9H,10H2,1-3H3
InChIKeyRFLPJQHWBNTFEA-UHFFFAOYSA-N
MW339.36 g/mol
LogP0.58
Rot. Bonds3

About N-[(1,3-dimethyl-2,4-dioxopteridin-6-yl)methyl]-N-phenylacetamide

N-[(1,3-dimethyl-2,4-dioxopteridin-6-yl)methyl]-N-phenylacetamide (PubChem CID 10854551) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is N-[(1,3-dimethyl-2,4-dioxopteridin-6-yl)methyl]-N-phenylacetamide.

Molecular Properties

Compound NameN-[(1,3-dimethyl-2,4-dioxopteridin-6-yl)methyl]-N-phenylacetamide
PubChem CID10854551
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC NameN-[(1,3-dimethyl-2,4-dioxopteridin-6-yl)methyl]-N-phenylacetamide
SMILESCC(=O)N(Cc1cnc2c(n1)c(=O)n(C)c(=O)n2C)c1ccccc1
InChIInChI=1S/C17H17N5O3/c1-11(23)22(13-7-5-4-6-8-13)10-12-9-18-15-14(19-12)16(24)21(3)17(25)20(15)2/h4-9H,10H2,1-3H3
InChIKeyRFLPJQHWBNTFEA-UHFFFAOYSA-N
XLogP0.58
TPSA90.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 50.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1,3-dimethyl-7-phenacylpteridine-2,4-dione
CID 110171685
(1,3-dimethyl-2,4-dioxopteridin-6-yl) acetate
CID 1263220
N-benzyl-2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
CID 24569507
N-benzyl-2-(1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenylacetamide
CID 41221076
N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-ethylacetamide
CID 129248502
N-(1-benzyl-3-methyl-2-oxoimidazo[4,5-b]pyridin-6-yl)-N-methylacetamide
CID 129248472
1,3-dimethyl-7-phenyl-6-pyridin-1-ium-1-ylpteridine-2,4-dione
CID 110171741
1,3-dimethyl-7-(4-phenylphenyl)pteridine-2,4-dione
CID 71399040
N-(2-hydroxyethyl)-N-phenylacetamide
CID 11344342
2-(8-chloro-1,3-dimethyl-2,6-dioxopurin-7-yl)-N-phenyl-N-propan-2-ylacetamide
CID 1497284
3-phenyl-N-(1,3,6-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl)propanamide
CID 16840800
2-[[(2S)-2-[(1,3-dimethyl-2,4-dioxopteridine-6-carbonyl)amino]-4-methylsulfinylbutanoyl]amino]benzoic acid
CID 156581105

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-dimethyl-2,4-dioxopteridin-6-yl)methyl]-N-phenylacetamide?
The IUPAC name of N-[(1,3-dimethyl-2,4-dioxopteridin-6-yl)methyl]-N-phenylacetamide (CID 10854551) is N-[(1,3-dimethyl-2,4-dioxopteridin-6-yl)methyl]-N-phenylacetamide.
What is the SMILES notation for N-[(1,3-dimethyl-2,4-dioxopteridin-6-yl)methyl]-N-phenylacetamide?
The canonical SMILES for N-[(1,3-dimethyl-2,4-dioxopteridin-6-yl)methyl]-N-phenylacetamide is CC(=O)N(Cc1cnc2c(n1)c(=O)n(C)c(=O)n2C)c1ccccc1.
What is the InChIKey of N-[(1,3-dimethyl-2,4-dioxopteridin-6-yl)methyl]-N-phenylacetamide?
The InChIKey is RFLPJQHWBNTFEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c1-11(23)22(13-7-5-4-6-8-13)10-12-9-18-15-14(19-12)16(24)21(3)17(25)20(15)2/h4-9H,10H2,1-3H3.
What are the key properties of N-[(1,3-dimethyl-2,4-dioxopteridin-6-yl)methyl]-N-phenylacetamide?
N-[(1,3-dimethyl-2,4-dioxopteridin-6-yl)methyl]-N-phenylacetamide has a molecular weight of 339.36 g/mol, XLogP of 0.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-dimethyl-2,4-dioxopteridin-6-yl)methyl]-N-phenylacetamide is sourced from PubChem (CID 10854551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).