2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine

C12H16N6 — CID 167769299

IUPAC2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine
SMILESNC1CC2(C1)CC(Nc1ncnc3nc[nH]c13)C2
InChIInChI=1S/C12H16N6/c13-7-1-12(2-7)3-8(4-12)18-11-9-10(15-5-14-9)16-6-17-11/h5-8H,1-4,13H2,(H2,14,15,16,17,18)
InChIKeySYKYTLVFISSKQG-UHFFFAOYSA-N
MW244.30 g/mol
LogP1.03
Rot. Bonds2

About 2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine

2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine (PubChem CID 167769299) has the molecular formula C12H16N6 and a molecular weight of 244.30 g/mol. Its IUPAC name is 2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine.

Molecular Properties

Compound Name2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine
PubChem CID167769299
Molecular FormulaC12H16N6
Molecular Weight244.30 g/mol
Exact Mass244.14
IUPAC Name2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine
SMILESNC1CC2(C1)CC(Nc1ncnc3nc[nH]c13)C2
InChIInChI=1S/C12H16N6/c13-7-1-12(2-7)3-8(4-12)18-11-9-10(15-5-14-9)16-6-17-11/h5-8H,1-4,13H2,(H2,14,15,16,17,18)
InChIKeySYKYTLVFISSKQG-UHFFFAOYSA-N
XLogP1.03
TPSA92.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 51.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,2-dimethylcyclopropyl)-7H-purin-6-amine
CID 61223491
N-piperidin-4-yl-7H-purin-6-amine
CID 24689570
N-[(3S)-pyrrolidin-3-yl]-7H-purin-6-amine
CID 140997133
N-(8-azabicyclo[3.2.1]octan-3-yl)-7H-purin-6-amine
CID 61233310
N-[(1R,2R)-2-methylcyclopropyl]-7H-purin-6-amine
CID 131020883
N-[(3S)-azepan-3-yl]-7H-purin-6-amine
CID 167844435
N-[(1R,3S)-3-methoxy-2,2,3-trimethylcyclobutyl]-7H-purin-6-amine
CID 95971222
N-(2-cyclopropyloxolan-3-yl)-7H-purin-6-amine
CID 103863975
N-(1-methylsulfonylpiperidin-3-yl)-7H-purin-6-amine
CID 47406251
2-(7H-purin-6-ylamino)cyclohexane-1-thiol
CID 518195
N-(1-prop-2-enylpiperidin-4-yl)-7H-purin-6-amine
CID 133320076
N-(7H-purin-6-yl)hydroxylamine
CID 21876

Frequently Asked Questions

What is the IUPAC name of 2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine?
The IUPAC name of 2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine (CID 167769299) is 2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine.
What is the SMILES notation for 2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine?
The canonical SMILES for 2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine is NC1CC2(C1)CC(Nc1ncnc3nc[nH]c13)C2.
What is the InChIKey of 2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine?
The InChIKey is SYKYTLVFISSKQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6/c13-7-1-12(2-7)3-8(4-12)18-11-9-10(15-5-14-9)16-6-17-11/h5-8H,1-4,13H2,(H2,14,15,16,17,18).
What are the key properties of 2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine?
2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine has a molecular weight of 244.30 g/mol, XLogP of 1.03, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(7H-purin-6-yl)spiro[3.3]heptane-2,6-diamine is sourced from PubChem (CID 167769299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).