9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine

C14H18N6 — CID 57327810

IUPAC9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine
SMILESc1nc(NC2CC2)c2ncn([C@H]3C[C@H]4CC[C@@H]3N4)c2n1
InChIInChI=1S/C14H18N6/c1-2-8(1)19-13-12-14(16-6-15-13)20(7-17-12)11-5-9-3-4-10(11)18-9/h6-11,18H,1-5H2,(H,15,16,19)/t9-,10+,11+/m1/s1
InChIKeyKZWKTHRPYKLYPX-VWYCJHECSA-N
MW270.34 g/mol
LogP1.47
Rot. Bonds3

About 9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine

9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine (PubChem CID 57327810) has the molecular formula C14H18N6 and a molecular weight of 270.34 g/mol. Its IUPAC name is 9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine.

Molecular Properties

Compound Name9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine
PubChem CID57327810
Molecular FormulaC14H18N6
Molecular Weight270.34 g/mol
Exact Mass270.16
IUPAC Name9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine
SMILESc1nc(NC2CC2)c2ncn([C@H]3C[C@H]4CC[C@@H]3N4)c2n1
InChIInChI=1S/C14H18N6/c1-2-8(1)19-13-12-14(16-6-15-13)20(7-17-12)11-5-9-3-4-10(11)18-9/h6-11,18H,1-5H2,(H,15,16,19)/t9-,10+,11+/m1/s1
InChIKeyKZWKTHRPYKLYPX-VWYCJHECSA-N
XLogP1.47
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine with MolForge

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Related Compounds

[(1S,2R,3S,4R)-4-[6-(cyclopropylamino)purin-9-yl]-2,3-dihydroxycyclopentyl]-hydroxyazanium chloride
CID 10641091
tert-butyl (1S,4S,6S)-6-[6-(cyclopropylamino)purin-9-yl]-2-azabicyclo[2.2.1]heptane-2-carboxylate
CID 57328104
[(1R,2R,4R,5R)-4-[6-(cyclopentylamino)purin-9-yl]-3,6-dioxabicyclo[3.1.0]hexan-2-yl]methanol
CID 10543507
9-butyl-N-cyclopropylpurin-6-amine
CID 10799535
3-(hydroxymethyl)-5-[6-[[(3S)-pyrrolidin-3-yl]amino]purin-9-yl]cyclopentane-1,2-diol;dihydrochloride
CID 70340122
9-benzyl-N-cyclopropylpurin-6-amine
CID 14022446
(1S,2S,3S,4R)-3-[6-(cyclopropylamino)purin-9-yl]-6,6-bis(hydroxymethyl)bicyclo[2.2.1]heptan-2-ol
CID 11439376
(2R,5R)-2-[6-(cyclopentylamino)purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 56995921
(2R,3R,4S,5S)-2-[6-(cyclopentylamino)purin-9-yl]-5-(sulfanylmethyl)oxolane-3,4-diol
CID 137454747
[(2R,5R)-5-[6-(cyclohexylamino)purin-9-yl]oxolan-2-yl]methanol
CID 54592375
(2R,5R)-2-[6-[(3-hydroxycyclopentyl)amino]purin-9-yl]-5-(hydroxymethyl)oxolane-3,4-diol
CID 57054435
[(1S,2R,4S,5R)-4-[6-(cyclopropylamino)purin-9-yl]-6-(4-methylphenyl)sulfonyl-6-azabicyclo[3.1.0]hexan-2-yl]methanol
CID 10906314

Frequently Asked Questions

What is the IUPAC name of 9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine?
The IUPAC name of 9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine (CID 57327810) is 9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine.
What is the SMILES notation for 9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine?
The canonical SMILES for 9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine is c1nc(NC2CC2)c2ncn([C@H]3C[C@H]4CC[C@@H]3N4)c2n1.
What is the InChIKey of 9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine?
The InChIKey is KZWKTHRPYKLYPX-VWYCJHECSA-N. The full InChI is InChI=1S/C14H18N6/c1-2-8(1)19-13-12-14(16-6-15-13)20(7-17-12)11-5-9-3-4-10(11)18-9/h6-11,18H,1-5H2,(H,15,16,19)/t9-,10+,11+/m1/s1.
What are the key properties of 9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine?
9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine has a molecular weight of 270.34 g/mol, XLogP of 1.47, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-[(1S,2S,4R)-7-azabicyclo[2.2.1]heptan-2-yl]-N-cyclopropylpurin-6-amine is sourced from PubChem (CID 57327810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).