N-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide

C11H11N5O3 — CID 135967978

IUPACN-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2ncc(C=O)nc2c(=O)[nH]1
InChIInChI=1S/C11H11N5O3/c1-5(2)9(18)15-11-14-8-7(10(19)16-11)13-6(4-17)3-12-8/h3-5H,1-2H3,(H2,12,14,15,16,18,19)
InChIKeyTXXKPEPPZSIKHX-UHFFFAOYSA-N
MW261.24 g/mol
LogP0.12
Rot. Bonds3

About N-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide

N-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide (PubChem CID 135967978) has the molecular formula C11H11N5O3 and a molecular weight of 261.24 g/mol. Its IUPAC name is N-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide.

Molecular Properties

Compound NameN-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide
PubChem CID135967978
Molecular FormulaC11H11N5O3
Molecular Weight261.24 g/mol
Exact Mass261.09
IUPAC NameN-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide
SMILESCC(C)C(=O)Nc1nc2ncc(C=O)nc2c(=O)[nH]1
InChIInChI=1S/C11H11N5O3/c1-5(2)9(18)15-11-14-8-7(10(19)16-11)13-6(4-17)3-12-8/h3-5H,1-2H3,(H2,12,14,15,16,18,19)
InChIKeyTXXKPEPPZSIKHX-UHFFFAOYSA-N
XLogP0.12
TPSA117.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.24
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-amino-4-oxo-3H-pteridine-6-carbaldehyde
CID 135409352
N-[6-[[4-[(methoxyamino)carbamoyl]-N-(2,2,2-trifluoroacetyl)anilino]methyl]-4-oxo-3H-pteridin-2-yl]-2-methylpropanamide
CID 137141029
diethyl 2-[[4-[(2-acetamido-4-oxo-3H-pteridin-6-yl)methylideneamino]-2,3,5,6-tetradeuteriobenzoyl]amino]pentanedioate
CID 135514653
2-(2-methylpropanoylamino)-6-oxo-N,N-diphenyl-1H-purine-9-carboxamide
CID 155045334
2-methyl-N-[9-[(2R,5R)-5-methyloxolan-2-yl]-6-oxo-1H-purin-2-yl]propanamide
CID 136601125
N-[9-[(2R,4S,5S)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 135708392
[(2R,3R,4R)-4-(2-acetamido-4-oxo-3H-pteridin-6-yl)-2,3,4-triacetyloxybutyl] acetate
CID 136830145
(4R)-5-methoxy-4-[[4-[[2-(2-methylpropanoylamino)-4-oxo-3H-pteridin-6-yl]methyl-(2,2,2-trifluoroacetyl)amino]benzoyl]amino]-5-oxopentanoic acid
CID 135967070
N-[9-[(2R,4S,5S)-4-hydroxy-5-(iodomethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 136675416
N-[9-[(4R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 137249436
N-[9-[(4S)-5-(deuteriomethyl)-4-hydroxyoxolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 140564436
N-[9-[(2R,4R,5R)-4-fluoro-5-(hydroxymethyl)thiolan-2-yl]-6-oxo-1H-purin-2-yl]-2-methylpropanamide
CID 137148887

Frequently Asked Questions

What is the IUPAC name of N-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide?
The IUPAC name of N-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide (CID 135967978) is N-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide.
What is the SMILES notation for N-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide?
The canonical SMILES for N-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide is CC(C)C(=O)Nc1nc2ncc(C=O)nc2c(=O)[nH]1.
What is the InChIKey of N-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide?
The InChIKey is TXXKPEPPZSIKHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O3/c1-5(2)9(18)15-11-14-8-7(10(19)16-11)13-6(4-17)3-12-8/h3-5H,1-2H3,(H2,12,14,15,16,18,19).
What are the key properties of N-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide?
N-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide has a molecular weight of 261.24 g/mol, XLogP of 0.12, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-formyl-4-oxo-3H-pteridin-2-yl)-2-methylpropanamide is sourced from PubChem (CID 135967978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).