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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Related Compounds

6-N-butyl-2-N-(1-methylpyrazol-4-yl)-7H-purine-2,6-diamine
CID 162645290
2-N-(1-methylpyrazol-4-yl)-6-N-(4,4,4-trifluorobutyl)-7H-purine-2,6-diamine
CID 162647682
N*6*-cyclohexyl-N*2*-(1-methyl-1H-pyrazol-4-yl)-9H-purine-2,6-diamine
CID 78324037
[2-(1-Methyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purin-8-yl](piperazin-1-yl)methanone
CID 122589723
2-Methyl-2-(4-{[2-(1-methyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purin-8-yl]carbonyl}piperazin-1-yl)propanamide
CID 122589730
1-(4-{[2-(1-Methyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purin-8-yl]carbonyl}piperazin-1-yl)ethanone
CID 122589739
1-Methyl-4-(1-{[2-(1-methyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purin-8-yl]carbonyl}azetidin-3-yl)piperazin-2-one
CID 122589759
[(3S)-3-(Dimethylamino)pyrrolidin-1-yl][2-(1-methyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purin-8-yl]methanone
CID 122589761
[4-(Dimethylamino)piperidin-1-yl][2-(1-methyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purin-8-yl]methanone
CID 122589766
4-{[2-(1-Methyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purin-8-yl]carbonyl}piperazin-2-one
CID 122589781
[2-(1-Methyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purin-8-yl](piperidin-1-yl)methanone
CID 122589782
N-[2-(4-methylpiperazin-1-yl)ethyl]-2-(1-methyl-1H-pyrazol-4-yl)-6-(morpholin-4-yl)-9H-purine-8-carboxamide
CID 134324434

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).