N-(1-benzylpyrazol-4-yl)-9-methyl-2-morpholin-4-ylpurin-6-amine

C20H22N8O — CID 121396073

IUPACN-(1-benzylpyrazol-4-yl)-9-methyl-2-morpholin-4-ylpurin-6-amine
SMILESCn1cnc2c(Nc3cnn(Cc4ccccc4)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C20H22N8O/c1-26-14-21-17-18(24-20(25-19(17)26)27-7-9-29-10-8-27)23-16-11-22-28(13-16)12-15-5-3-2-4-6-15/h2-6,11,13-14H,7-10,12H2,1H3,(H,23,24,25)
InChIKeyVFMUQMNUJYNXSX-UHFFFAOYSA-N
MW390.45 g/mol
LogP2.19
Rot. Bonds5

About N-(1-benzylpyrazol-4-yl)-9-methyl-2-morpholin-4-ylpurin-6-amine

N-(1-benzylpyrazol-4-yl)-9-methyl-2-morpholin-4-ylpurin-6-amine (PubChem CID 121396073) has the molecular formula C20H22N8O and a molecular weight of 390.45 g/mol. Its IUPAC name is N-(1-benzylpyrazol-4-yl)-9-methyl-2-morpholin-4-ylpurin-6-amine.

Molecular Properties

Compound NameN-(1-benzylpyrazol-4-yl)-9-methyl-2-morpholin-4-ylpurin-6-amine
PubChem CID121396073
Molecular FormulaC20H22N8O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC NameN-(1-benzylpyrazol-4-yl)-9-methyl-2-morpholin-4-ylpurin-6-amine
SMILESCn1cnc2c(Nc3cnn(Cc4ccccc4)c3)nc(N3CCOCC3)nc21
InChIInChI=1S/C20H22N8O/c1-26-14-21-17-18(24-20(25-19(17)26)27-7-9-29-10-8-27)23-16-11-22-28(13-16)12-15-5-3-2-4-6-15/h2-6,11,13-14H,7-10,12H2,1H3,(H,23,24,25)
InChIKeyVFMUQMNUJYNXSX-UHFFFAOYSA-N
XLogP2.19
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.45
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-(1-benzylpyrazol-4-yl)-9-propan-2-yl-2-pyrrolidin-1-ylpurin-6-amine
CID 145096847
2-morpholin-4-yl-N-phenyl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117084514
tert-butyl N-[(3S)-1-[6-[(1-benzylpyrazol-4-yl)amino]-9-propan-2-ylpurin-2-yl]piperidin-3-yl]carbamate
CID 121396086
2-morpholin-4-yl-N-(4-phenoxyphenyl)-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-amine
CID 117086323
N-benzyl-1-methyl-6-morpholin-4-ylpyrazolo[3,4-d]pyrimidin-4-amine
CID 8547141
N-(1-benzylpyrazol-4-yl)-2-fluoro-5-methylpyrimidin-4-amine
CID 164643893
N-[4-[[2-morpholin-4-yl-9-[[4-(trifluoromethyl)phenyl]methyl]purin-6-yl]amino]phenyl]acetamide
CID 117086112
5-(9-benzyl-2-morpholin-4-ylpurin-6-yl)pyrimidin-2-amine
CID 59588823
2-(3,5-dimethylpyrazol-1-yl)-9-methyl-N-phenylpurin-6-amine
CID 25016610
N-(1-benzylpiperidin-4-yl)-5-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 117089157
N-(1-benzylpyrazol-4-yl)pyridin-2-amine
CID 82537528
7-(1-benzylpyrazol-4-yl)-6-chloro-1-methyl-3-(4-morpholin-4-ylanilino)quinoxalin-2-one
CID 142494282

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpyrazol-4-yl)-9-methyl-2-morpholin-4-ylpurin-6-amine?
The IUPAC name of N-(1-benzylpyrazol-4-yl)-9-methyl-2-morpholin-4-ylpurin-6-amine (CID 121396073) is N-(1-benzylpyrazol-4-yl)-9-methyl-2-morpholin-4-ylpurin-6-amine.
What is the SMILES notation for N-(1-benzylpyrazol-4-yl)-9-methyl-2-morpholin-4-ylpurin-6-amine?
The canonical SMILES for N-(1-benzylpyrazol-4-yl)-9-methyl-2-morpholin-4-ylpurin-6-amine is Cn1cnc2c(Nc3cnn(Cc4ccccc4)c3)nc(N3CCOCC3)nc21.
What is the InChIKey of N-(1-benzylpyrazol-4-yl)-9-methyl-2-morpholin-4-ylpurin-6-amine?
The InChIKey is VFMUQMNUJYNXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O/c1-26-14-21-17-18(24-20(25-19(17)26)27-7-9-29-10-8-27)23-16-11-22-28(13-16)12-15-5-3-2-4-6-15/h2-6,11,13-14H,7-10,12H2,1H3,(H,23,24,25).
What are the key properties of N-(1-benzylpyrazol-4-yl)-9-methyl-2-morpholin-4-ylpurin-6-amine?
N-(1-benzylpyrazol-4-yl)-9-methyl-2-morpholin-4-ylpurin-6-amine has a molecular weight of 390.45 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpyrazol-4-yl)-9-methyl-2-morpholin-4-ylpurin-6-amine is sourced from PubChem (CID 121396073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).