6-N-cyclohexyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine

C15H20N8 — CID 78324037

IUPAC6-N-cyclohexyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
SMILESCn1cc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cn1
InChIInChI=1S/C15H20N8/c1-23-8-11(7-18-23)20-15-21-13-12(16-9-17-13)14(22-15)19-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H3,16,17,19,20,21,22)
InChIKeyFSQDJSYFAZOQND-UHFFFAOYSA-N
MW312.38 g/mol
LogP2.57
Rot. Bonds4

About 6-N-cyclohexyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine

6-N-cyclohexyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine (PubChem CID 78324037) has the molecular formula C15H20N8 and a molecular weight of 312.38 g/mol. Its IUPAC name is 6-N-cyclohexyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-cyclohexyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
PubChem CID78324037
Molecular FormulaC15H20N8
Molecular Weight312.38 g/mol
Exact Mass312.18
IUPAC Name6-N-cyclohexyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
SMILESCn1cc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cn1
InChIInChI=1S/C15H20N8/c1-23-8-11(7-18-23)20-15-21-13-12(16-9-17-13)14(22-15)19-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H3,16,17,19,20,21,22)
InChIKeyFSQDJSYFAZOQND-UHFFFAOYSA-N
XLogP2.57
TPSA96.34 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-N-cyclohexyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-cyclohexyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine (CID 78324037) is 6-N-cyclohexyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-cyclohexyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-cyclohexyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine is Cn1cc(Nc2nc(NC3CCCCC3)c3[nH]cnc3n2)cn1.
What is the InChIKey of 6-N-cyclohexyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine?
The InChIKey is FSQDJSYFAZOQND-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N8/c1-23-8-11(7-18-23)20-15-21-13-12(16-9-17-13)14(22-15)19-10-5-3-2-4-6-10/h7-10H,2-6H2,1H3,(H3,16,17,19,20,21,22).
What are the key properties of 6-N-cyclohexyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine?
6-N-cyclohexyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine has a molecular weight of 312.38 g/mol, XLogP of 2.57, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-cyclohexyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine is sourced from PubChem (CID 78324037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).