2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine

C13H15N7O — CID 155987222

IUPAC2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine
SMILESCc1cn[nH]c1C1CN(c2ncnc3nc[nH]c23)CCO1
InChIInChI=1S/C13H15N7O/c1-8-4-18-19-10(8)9-5-20(2-3-21-9)13-11-12(15-6-14-11)16-7-17-13/h4,6-7,9H,2-3,5H2,1H3,(H,18,19)(H,14,15,16,17)
InChIKeyNWMPBEBTQKLBGM-UHFFFAOYSA-N
MW285.31 g/mol
LogP0.96
Rot. Bonds2

About 2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine

2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine (PubChem CID 155987222) has the molecular formula C13H15N7O and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine.

Molecular Properties

Compound Name2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine
PubChem CID155987222
Molecular FormulaC13H15N7O
Molecular Weight285.31 g/mol
Exact Mass285.13
IUPAC Name2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine
SMILESCc1cn[nH]c1C1CN(c2ncnc3nc[nH]c23)CCO1
InChIInChI=1S/C13H15N7O/c1-8-4-18-19-10(8)9-5-20(2-3-21-9)13-11-12(15-6-14-11)16-7-17-13/h4,6-7,9H,2-3,5H2,1H3,(H,18,19)(H,14,15,16,17)
InChIKeyNWMPBEBTQKLBGM-UHFFFAOYSA-N
XLogP0.96
TPSA95.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine?
The IUPAC name of 2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine (CID 155987222) is 2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine.
What is the SMILES notation for 2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine?
The canonical SMILES for 2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine is Cc1cn[nH]c1C1CN(c2ncnc3nc[nH]c23)CCO1.
What is the InChIKey of 2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine?
The InChIKey is NWMPBEBTQKLBGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N7O/c1-8-4-18-19-10(8)9-5-20(2-3-21-9)13-11-12(15-6-14-11)16-7-17-13/h4,6-7,9H,2-3,5H2,1H3,(H,18,19)(H,14,15,16,17).
What are the key properties of 2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine?
2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine has a molecular weight of 285.31 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine is sourced from PubChem (CID 155987222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).