6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine

C10H14N6 — CID 115669383

IUPAC6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine
SMILESNc1nc(NCC2CCC2)c2[nH]cnc2n1
InChIInChI=1S/C10H14N6/c11-10-15-8(12-4-6-2-1-3-6)7-9(16-10)14-5-13-7/h5-6H,1-4H2,(H4,11,12,13,14,15,16)
InChIKeyZCELABVAAYOACQ-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.15
Rot. Bonds3

About 6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine

6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine (PubChem CID 115669383) has the molecular formula C10H14N6 and a molecular weight of 218.26 g/mol. Its IUPAC name is 6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine
PubChem CID115669383
Molecular FormulaC10H14N6
Molecular Weight218.26 g/mol
Exact Mass218.13
IUPAC Name6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine
SMILESNc1nc(NCC2CCC2)c2[nH]cnc2n1
InChIInChI=1S/C10H14N6/c11-10-15-8(12-4-6-2-1-3-6)7-9(16-10)14-5-13-7/h5-6H,1-4H2,(H4,11,12,13,14,15,16)
InChIKeyZCELABVAAYOACQ-UHFFFAOYSA-N
XLogP1.15
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[(2-amino-7H-purin-6-yl)amino]methyl]piperidine-1-carboxylic acid
CID 91465620
6-N-(3-cyclopentylpropyl)-7H-purine-2,6-diamine
CID 104623232
6-N-cyclobutyl-7H-purine-2,6-diamine
CID 18430660
6-N-cyclopropyl-7H-purine-2,6-diamine;hydrochloride
CID 19934360
6-N-[2-(oxolan-3-yl)ethyl]-7H-purine-2,6-diamine
CID 104623942
2-[(2-amino-7H-purin-6-yl)amino]acetamide
CID 114783660
6-N-(3-methoxypropyl)-7H-purine-2,6-diamine
CID 115669328
6-N-fluoro-7H-purine-2,6-diamine
CID 143836083
6-N-(2,3-dimethylbutyl)-7H-purine-2,6-diamine
CID 104623745
4-[(2-amino-7H-purin-6-yl)amino]cyclohexan-1-ol
CID 104623891
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
2-N-ethyl-6-N-[(1-methylpiperidin-3-yl)methyl]-7H-purine-2,6-diamine
CID 114784776

Frequently Asked Questions

What is the IUPAC name of 6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine (CID 115669383) is 6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine is Nc1nc(NCC2CCC2)c2[nH]cnc2n1.
What is the InChIKey of 6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine?
The InChIKey is ZCELABVAAYOACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6/c11-10-15-8(12-4-6-2-1-3-6)7-9(16-10)14-5-13-7/h5-6H,1-4H2,(H4,11,12,13,14,15,16).
What are the key properties of 6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine?
6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine has a molecular weight of 218.26 g/mol, XLogP of 1.15, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(cyclobutylmethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 115669383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).