N-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine

C13H16N8O — CID 162658440

IUPACN-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine
SMILESCn1cc(Nc2nc(N3CCOCC3)c3[nH]cnc3n2)cn1
InChIInChI=1S/C13H16N8O/c1-20-7-9(6-16-20)17-13-18-11-10(14-8-15-11)12(19-13)21-2-4-22-5-3-21/h6-8H,2-5H2,1H3,(H2,14,15,17,18,19)
InChIKeyBNQVMMASGKIBQI-UHFFFAOYSA-N
MW300.33 g/mol
LogP0.67
Rot. Bonds3

About N-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine

N-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine (PubChem CID 162658440) has the molecular formula C13H16N8O and a molecular weight of 300.33 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine
PubChem CID162658440
Molecular FormulaC13H16N8O
Molecular Weight300.33 g/mol
Exact Mass300.14
IUPAC NameN-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine
SMILESCn1cc(Nc2nc(N3CCOCC3)c3[nH]cnc3n2)cn1
InChIInChI=1S/C13H16N8O/c1-20-7-9(6-16-20)17-13-18-11-10(14-8-15-11)12(19-13)21-2-4-22-5-3-21/h6-8H,2-5H2,1H3,(H2,14,15,17,18,19)
InChIKeyBNQVMMASGKIBQI-UHFFFAOYSA-N
XLogP0.67
TPSA96.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.33
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine?
The IUPAC name of N-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine (CID 162658440) is N-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine is Cn1cc(Nc2nc(N3CCOCC3)c3[nH]cnc3n2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine?
The InChIKey is BNQVMMASGKIBQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N8O/c1-20-7-9(6-16-20)17-13-18-11-10(14-8-15-11)12(19-13)21-2-4-22-5-3-21/h6-8H,2-5H2,1H3,(H2,14,15,17,18,19).
What are the key properties of N-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine?
N-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine has a molecular weight of 300.33 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-6-morpholin-4-yl-7H-purin-2-amine is sourced from PubChem (CID 162658440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).