N-[6-[(2,6-dimethylphenyl)methoxy]-7H-purin-2-yl]-2-methylpropanamide

C18H21N5O2 — CID 170719549

IUPACN-[6-[(2,6-dimethylphenyl)methoxy]-7H-purin-2-yl]-2-methylpropanamide
SMILESCc1cccc(C)c1COc1nc(NC(=O)C(C)C)nc2nc[nH]c12
InChIInChI=1S/C18H21N5O2/c1-10(2)16(24)22-18-21-15-14(19-9-20-15)17(23-18)25-8-13-11(3)6-5-7-12(13)4/h5-7,9-10H,8H2,1-4H3,(H2,19,20,21,22,23,24)
InChIKeyFBENVOVINCKWEK-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.14
Rot. Bonds5

About N-[6-[(2,6-dimethylphenyl)methoxy]-7H-purin-2-yl]-2-methylpropanamide

N-[6-[(2,6-dimethylphenyl)methoxy]-7H-purin-2-yl]-2-methylpropanamide (PubChem CID 170719549) has the molecular formula C18H21N5O2 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-[6-[(2,6-dimethylphenyl)methoxy]-7H-purin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[6-[(2,6-dimethylphenyl)methoxy]-7H-purin-2-yl]-2-methylpropanamide
PubChem CID170719549
Molecular FormulaC18H21N5O2
Molecular Weight339.40 g/mol
Exact Mass339.17
IUPAC NameN-[6-[(2,6-dimethylphenyl)methoxy]-7H-purin-2-yl]-2-methylpropanamide
SMILESCc1cccc(C)c1COc1nc(NC(=O)C(C)C)nc2nc[nH]c12
InChIInChI=1S/C18H21N5O2/c1-10(2)16(24)22-18-21-15-14(19-9-20-15)17(23-18)25-8-13-11(3)6-5-7-12(13)4/h5-7,9-10H,8H2,1-4H3,(H2,19,20,21,22,23,24)
InChIKeyFBENVOVINCKWEK-UHFFFAOYSA-N
XLogP3.14
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[6-[(2,6-dimethylphenyl)methoxy]-7H-purin-2-yl]-2-methylpropanamide?
The IUPAC name of N-[6-[(2,6-dimethylphenyl)methoxy]-7H-purin-2-yl]-2-methylpropanamide (CID 170719549) is N-[6-[(2,6-dimethylphenyl)methoxy]-7H-purin-2-yl]-2-methylpropanamide.
What is the SMILES notation for N-[6-[(2,6-dimethylphenyl)methoxy]-7H-purin-2-yl]-2-methylpropanamide?
The canonical SMILES for N-[6-[(2,6-dimethylphenyl)methoxy]-7H-purin-2-yl]-2-methylpropanamide is Cc1cccc(C)c1COc1nc(NC(=O)C(C)C)nc2nc[nH]c12.
What is the InChIKey of N-[6-[(2,6-dimethylphenyl)methoxy]-7H-purin-2-yl]-2-methylpropanamide?
The InChIKey is FBENVOVINCKWEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O2/c1-10(2)16(24)22-18-21-15-14(19-9-20-15)17(23-18)25-8-13-11(3)6-5-7-12(13)4/h5-7,9-10H,8H2,1-4H3,(H2,19,20,21,22,23,24).
What are the key properties of N-[6-[(2,6-dimethylphenyl)methoxy]-7H-purin-2-yl]-2-methylpropanamide?
N-[6-[(2,6-dimethylphenyl)methoxy]-7H-purin-2-yl]-2-methylpropanamide has a molecular weight of 339.40 g/mol, XLogP of 3.14, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(2,6-dimethylphenyl)methoxy]-7H-purin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 170719549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).