9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine

C17H21N7O — CID 164632728

IUPAC9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine
SMILESCn1cc([C@H]2OCC[C@@H]2CNc2ncnc3c2ncn3C2CC2)cn1
InChIInChI=1S/C17H21N7O/c1-23-8-12(7-22-23)15-11(4-5-25-15)6-18-16-14-17(20-9-19-16)24(10-21-14)13-2-3-13/h7-11,13,15H,2-6H2,1H3,(H,18,19,20)/t11-,15+/m1/s1
InChIKeyBMEGTIYIGFWPCB-ABAIWWIYSA-N
MW339.40 g/mol
LogP2.08
Rot. Bonds5

About 9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine

9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine (PubChem CID 164632728) has the molecular formula C17H21N7O and a molecular weight of 339.40 g/mol. Its IUPAC name is 9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine.

Molecular Properties

Compound Name9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine
PubChem CID164632728
Molecular FormulaC17H21N7O
Molecular Weight339.40 g/mol
Exact Mass339.18
IUPAC Name9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine
SMILESCn1cc([C@H]2OCC[C@@H]2CNc2ncnc3c2ncn3C2CC2)cn1
InChIInChI=1S/C17H21N7O/c1-23-8-12(7-22-23)15-11(4-5-25-15)6-18-16-14-17(20-9-19-16)24(10-21-14)13-2-3-13/h7-11,13,15H,2-6H2,1H3,(H,18,19,20)/t11-,15+/m1/s1
InChIKeyBMEGTIYIGFWPCB-ABAIWWIYSA-N
XLogP2.08
TPSA82.68 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine?
The IUPAC name of 9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine (CID 164632728) is 9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine.
What is the SMILES notation for 9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine?
The canonical SMILES for 9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine is Cn1cc([C@H]2OCC[C@@H]2CNc2ncnc3c2ncn3C2CC2)cn1.
What is the InChIKey of 9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine?
The InChIKey is BMEGTIYIGFWPCB-ABAIWWIYSA-N. The full InChI is InChI=1S/C17H21N7O/c1-23-8-12(7-22-23)15-11(4-5-25-15)6-18-16-14-17(20-9-19-16)24(10-21-14)13-2-3-13/h7-11,13,15H,2-6H2,1H3,(H,18,19,20)/t11-,15+/m1/s1.
What are the key properties of 9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine?
9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine has a molecular weight of 339.40 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-N-[[(2S,3R)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]methyl]purin-6-amine is sourced from PubChem (CID 164632728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).