2-methyl-N-(7H-purin-6-yl)prop-2-enamide

C9H9N5O — CID 142419518

IUPAC2-methyl-N-(7H-purin-6-yl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C9H9N5O/c1-5(2)9(15)14-8-6-7(11-3-10-6)12-4-13-8/h3-4H,1H2,2H3,(H2,10,11,12,13,14,15)
InChIKeySYDIBRZLLQFMJX-UHFFFAOYSA-N
MW203.20 g/mol
LogP0.87
Rot. Bonds2

About 2-methyl-N-(7H-purin-6-yl)prop-2-enamide

2-methyl-N-(7H-purin-6-yl)prop-2-enamide (PubChem CID 142419518) has the molecular formula C9H9N5O and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-methyl-N-(7H-purin-6-yl)prop-2-enamide.

Molecular Properties

Compound Name2-methyl-N-(7H-purin-6-yl)prop-2-enamide
PubChem CID142419518
Molecular FormulaC9H9N5O
Molecular Weight203.20 g/mol
Exact Mass203.08
IUPAC Name2-methyl-N-(7H-purin-6-yl)prop-2-enamide
SMILESC=C(C)C(=O)Nc1ncnc2nc[nH]c12
InChIInChI=1S/C9H9N5O/c1-5(2)9(15)14-8-6-7(11-3-10-6)12-4-13-8/h3-4H,1H2,2H3,(H2,10,11,12,13,14,15)
InChIKeySYDIBRZLLQFMJX-UHFFFAOYSA-N
XLogP0.87
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

(2E)-2-ethenyl-N-(7H-purin-6-yl)penta-2,4-dienamide
CID 145321450
(2S)-2-chloro-N-(7H-purin-6-yl)propanamide
CID 41214843
1-(2-methylphenyl)-3-(7H-purin-6-yl)urea
CID 585012
(2S)-2-(7H-purin-6-ylcarbamoylamino)propanoic acid
CID 131853482
N-(7H-purin-6-yl)hydroxylamine
CID 21876
2,2-dimethyl-3-(7H-purin-6-ylcarbamoyl)cyclopropane-1-carboxylic acid
CID 64837350
3-(ethylamino)-N-(7H-purin-6-yl)propanamide;dihydrochloride
CID 67008467
1-(3-chloropropyl)-3-(7H-purin-6-yl)urea
CID 71487244
4-amino-N-(7H-purin-6-yl)butanamide;hydrochloride
CID 67008573
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
1-hydroxy-1-pentyl-3-(7H-purin-6-yl)urea
CID 175389383
3-methyl-2-(7H-purin-6-ylamino)butanoic acid
CID 4136995

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(7H-purin-6-yl)prop-2-enamide?
The IUPAC name of 2-methyl-N-(7H-purin-6-yl)prop-2-enamide (CID 142419518) is 2-methyl-N-(7H-purin-6-yl)prop-2-enamide.
What is the SMILES notation for 2-methyl-N-(7H-purin-6-yl)prop-2-enamide?
The canonical SMILES for 2-methyl-N-(7H-purin-6-yl)prop-2-enamide is C=C(C)C(=O)Nc1ncnc2nc[nH]c12.
What is the InChIKey of 2-methyl-N-(7H-purin-6-yl)prop-2-enamide?
The InChIKey is SYDIBRZLLQFMJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O/c1-5(2)9(15)14-8-6-7(11-3-10-6)12-4-13-8/h3-4H,1H2,2H3,(H2,10,11,12,13,14,15).
What are the key properties of 2-methyl-N-(7H-purin-6-yl)prop-2-enamide?
2-methyl-N-(7H-purin-6-yl)prop-2-enamide has a molecular weight of 203.20 g/mol, XLogP of 0.87, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(7H-purin-6-yl)prop-2-enamide is sourced from PubChem (CID 142419518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).