9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine

C15H16N6 — CID 167978863

IUPAC9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine
SMILESNc1nc(N)c2ncn(Cc3ccccc3C3CC3)c2n1
InChIInChI=1S/C15H16N6/c16-13-12-14(20-15(17)19-13)21(8-18-12)7-10-3-1-2-4-11(10)9-5-6-9/h1-4,8-9H,5-7H2,(H4,16,17,19,20)
InChIKeyAVTVZYRFEXPORC-UHFFFAOYSA-N
MW280.34 g/mol
LogP1.92
Rot. Bonds3

About 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine

9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine (PubChem CID 167978863) has the molecular formula C15H16N6 and a molecular weight of 280.34 g/mol. Its IUPAC name is 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine.

Molecular Properties

Compound Name9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine
PubChem CID167978863
Molecular FormulaC15H16N6
Molecular Weight280.34 g/mol
Exact Mass280.14
IUPAC Name9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine
SMILESNc1nc(N)c2ncn(Cc3ccccc3C3CC3)c2n1
InChIInChI=1S/C15H16N6/c16-13-12-14(20-15(17)19-13)21(8-18-12)7-10-3-1-2-4-11(10)9-5-6-9/h1-4,8-9H,5-7H2,(H4,16,17,19,20)
InChIKeyAVTVZYRFEXPORC-UHFFFAOYSA-N
XLogP1.92
TPSA95.64 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.34
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

9-[(2,6-difluorophenyl)methyl]purine-2,6-diamine
CID 54053692
2-[4-[(2,6-diaminopurin-9-yl)methyl]phenyl]phenol
CID 90332954
2-amino-9-[(2-fluorophenyl)methyl]purine-6-carbonitrile
CID 68575148
9-[(3-propan-2-ylphenyl)methyl]purine-2,6-diamine
CID 154781600
2-amino-9-[(2-fluorophenyl)methyl]purine-6-carbothioamide
CID 86592467
[(1S,2R)-2-[(2,6-diaminopurin-9-yl)methyl]cyclopentyl]methanol
CID 102426371
9-propylpurine-2,6-diamine;dihydrochloride
CID 141031131
2-[(2,6-diaminopurin-9-yl)methyl]propane-1,3-diol
CID 15516211
9-phenylpurine-2,6-diamine;dihydrochloride
CID 141031122
(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769
methyl 4-[(2,6-diaminopurin-9-yl)methyl]benzoate
CID 86187446
9-(1H-indol-7-ylmethyl)-2-methylpurin-6-amine
CID 129244073

Frequently Asked Questions

What is the IUPAC name of 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine?
The IUPAC name of 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine (CID 167978863) is 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine.
What is the SMILES notation for 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine?
The canonical SMILES for 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine is Nc1nc(N)c2ncn(Cc3ccccc3C3CC3)c2n1.
What is the InChIKey of 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine?
The InChIKey is AVTVZYRFEXPORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6/c16-13-12-14(20-15(17)19-13)21(8-18-12)7-10-3-1-2-4-11(10)9-5-6-9/h1-4,8-9H,5-7H2,(H4,16,17,19,20).
What are the key properties of 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine?
9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine has a molecular weight of 280.34 g/mol, XLogP of 1.92, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(2-cyclopropylphenyl)methyl]purine-2,6-diamine is sourced from PubChem (CID 167978863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).