N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine

C16H19N5O — CID 94432722

IUPACN-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine
SMILESCC(C)OCc1ccc(CNc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C16H19N5O/c1-11(2)22-8-13-5-3-12(4-6-13)7-17-15-14-16(19-9-18-14)21-10-20-15/h3-6,9-11H,7-8H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyZYJRPKAFYSDATN-UHFFFAOYSA-N
MW297.36 g/mol
LogP2.89
Rot. Bonds6

About N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine

N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine (PubChem CID 94432722) has the molecular formula C16H19N5O and a molecular weight of 297.36 g/mol. Its IUPAC name is N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine.

Molecular Properties

Compound NameN-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine
PubChem CID94432722
Molecular FormulaC16H19N5O
Molecular Weight297.36 g/mol
Exact Mass297.16
IUPAC NameN-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine
SMILESCC(C)OCc1ccc(CNc2ncnc3nc[nH]c23)cc1
InChIInChI=1S/C16H19N5O/c1-11(2)22-8-13-5-3-12(4-6-13)7-17-15-14-16(19-9-18-14)21-10-20-15/h3-6,9-11H,7-8H2,1-2H3,(H2,17,18,19,20,21)
InChIKeyZYJRPKAFYSDATN-UHFFFAOYSA-N
XLogP2.89
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.36
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-propan-2-ylphenyl)methyl]-7H-purin-6-amine
CID 61397737
N-[[4-(difluoromethyl)phenyl]methyl]-7H-purin-6-amine
CID 133474798
N-[(6-methyl-3-pyridinyl)methyl]-7H-purin-6-amine
CID 60965843
N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine
CID 11529329
N-[(3,5-dimethylphenyl)methyl]-7H-purin-6-amine
CID 58205175
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-7H-purin-6-amine
CID 10223442
N-benzyl-7H-purin-6-amine;7H-purine
CID 70256184
N-[(3-methylsulfanylphenyl)methyl]-7H-purin-6-amine
CID 39840813
N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-7H-purin-6-amine
CID 94421834
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-[(5-methyl-2-phenylmethoxyphenyl)methyl]-7H-purin-6-amine
CID 141033688

Frequently Asked Questions

What is the IUPAC name of N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine?
The IUPAC name of N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine (CID 94432722) is N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine.
What is the SMILES notation for N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine?
The canonical SMILES for N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine is CC(C)OCc1ccc(CNc2ncnc3nc[nH]c23)cc1.
What is the InChIKey of N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine?
The InChIKey is ZYJRPKAFYSDATN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O/c1-11(2)22-8-13-5-3-12(4-6-13)7-17-15-14-16(19-9-18-14)21-10-20-15/h3-6,9-11H,7-8H2,1-2H3,(H2,17,18,19,20,21).
What are the key properties of N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine?
N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine has a molecular weight of 297.36 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(propan-2-yloxymethyl)phenyl]methyl]-7H-purin-6-amine is sourced from PubChem (CID 94432722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).