N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine

C15H17N5O — CID 114787552

IUPACN-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine
SMILESCNc1nc(OCCCc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C15H17N5O/c1-16-15-19-13-12(17-10-18-13)14(20-15)21-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H2,16,17,18,19,20)
InChIKeyQQQNQTPXGIOXBC-UHFFFAOYSA-N
MW283.34 g/mol
LogP2.41
Rot. Bonds6

About N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine

N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine (PubChem CID 114787552) has the molecular formula C15H17N5O and a molecular weight of 283.34 g/mol. Its IUPAC name is N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine.

Molecular Properties

Compound NameN-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine
PubChem CID114787552
Molecular FormulaC15H17N5O
Molecular Weight283.34 g/mol
Exact Mass283.14
IUPAC NameN-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine
SMILESCNc1nc(OCCCc2ccccc2)c2[nH]cnc2n1
InChIInChI=1S/C15H17N5O/c1-16-15-19-13-12(17-10-18-13)14(20-15)21-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H2,16,17,18,19,20)
InChIKeyQQQNQTPXGIOXBC-UHFFFAOYSA-N
XLogP2.41
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-(2-butoxyethoxy)-N-methyl-7H-purin-2-amine
CID 114786789
6-(2-cyclopropylethoxy)-N-methyl-7H-purin-2-amine
CID 106207558
N-methyl-6-(4-propylphenoxy)-7H-purin-2-amine
CID 114787620
N-methyl-2-(3-phenylpropyl)-7H-purin-6-amine
CID 11747563
6-(cyclopropylmethoxy)-N-methyl-7H-purin-2-amine
CID 114786939
N-methyl-2-(2-phenylethyl)-7H-purin-6-amine
CID 10956074
N-ethyl-6-(4-methylpentoxy)-7H-purin-2-amine
CID 114786807
N-methyl-6-(oxolan-3-ylmethoxy)-7H-purin-2-amine
CID 114787546
5-bromo-4-(3-phenylpropoxy)-1H-pyrimidin-6-one
CID 114676360
6-(2-bromo-4-chlorophenoxy)-N-methyl-7H-purin-2-amine
CID 114787330
6-[2-(dimethylamino)ethoxy]-N-ethyl-7H-purin-2-amine
CID 114787500
6-N,6-N-dibenzyl-2-N-(4-butylphenyl)-7H-purine-2,6-diamine
CID 118420609

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine?
The IUPAC name of N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine (CID 114787552) is N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine.
What is the SMILES notation for N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine?
The canonical SMILES for N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine is CNc1nc(OCCCc2ccccc2)c2[nH]cnc2n1.
What is the InChIKey of N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine?
The InChIKey is QQQNQTPXGIOXBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O/c1-16-15-19-13-12(17-10-18-13)14(20-15)21-9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H2,16,17,18,19,20).
What are the key properties of N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine?
N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine has a molecular weight of 283.34 g/mol, XLogP of 2.41, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(3-phenylpropoxy)-7H-purin-2-amine is sourced from PubChem (CID 114787552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).