6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

C20H22N8O2 — CID 178075710

IUPAC6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCNc1nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)nc2nn(C3COC3)cc12
InChIInChI=1S/C20H22N8O2/c1-12-7-27(11-22-12)16-5-4-13(6-17(16)29-3)23-20-24-18(21-2)15-8-28(14-9-30-10-14)26-19(15)25-20/h4-8,11,14H,9-10H2,1-3H3,(H2,21,23,24,25,26)
InChIKeyZANTWXIUHUHMKA-UHFFFAOYSA-N
MW406.45 g/mol
LogP2.69
Rot. Bonds6

About 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine

6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (PubChem CID 178075710) has the molecular formula C20H22N8O2 and a molecular weight of 406.45 g/mol. Its IUPAC name is 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
PubChem CID178075710
Molecular FormulaC20H22N8O2
Molecular Weight406.45 g/mol
Exact Mass406.19
IUPAC Name6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine
SMILESCNc1nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)nc2nn(C3COC3)cc12
InChIInChI=1S/C20H22N8O2/c1-12-7-27(11-22-12)16-5-4-13(6-17(16)29-3)23-20-24-18(21-2)15-8-28(14-9-30-10-14)26-19(15)25-20/h4-8,11,14H,9-10H2,1-3H3,(H2,21,23,24,25,26)
InChIKeyZANTWXIUHUHMKA-UHFFFAOYSA-N
XLogP2.69
TPSA103.94 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Related Compounds

6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 178075717
4,6-dichloro-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1,3,5-triazin-2-amine
CID 87317448
3-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-1H-1,2,4-triazole-3,5-diamine
CID 67334334
8-(4-fluoropiperidin-1-yl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 53340581
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-7-phenylpurin-2-amine
CID 178075687
(6aR)-4-ethyl-2-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-5-methyl-6a,7,9,10-tetrahydro-[1,4]oxazino[3,4-h]pteridin-6-one
CID 138652397
4-N-cyclopentyl-2-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-oxospiro[7H-thieno[3,2-d]pyrimidine-6,1'-cyclobutane]-2,4-diamine
CID 71260365
7-(methoxymethyl)-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 123144528
14-[3-methoxy-4-(4-methylimidazol-1-yl)anilino]-2,10-dimethyl-4,7-dioxa-2,10,13,15-tetrazabicyclo[9.4.0]pentadeca-1(15),11,13-trien-9-one
CID 123926016
7-cyclobutyl-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-8-methyl-6,7-dihydropyrimido[5,4-b][1,4]oxazin-2-amine
CID 123965914
N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-5-phenyl-[1,3]thiazolo[4,5-d]pyrimidin-7-amine
CID 177241909
2-N-[4-[4-(difluoromethyl)imidazol-1-yl]-3-methoxyphenyl]-7-(4-fluorophenyl)-4-N-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-diamine
CID 50912914

Frequently Asked Questions

What is the IUPAC name of 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The IUPAC name of 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine (CID 178075710) is 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is CNc1nc(Nc2ccc(-n3cnc(C)c3)c(OC)c2)nc2nn(C3COC3)cc12.
What is the InChIKey of 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
The InChIKey is ZANTWXIUHUHMKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N8O2/c1-12-7-27(11-22-12)16-5-4-13(6-17(16)29-3)23-20-24-18(21-2)15-8-28(14-9-30-10-14)26-19(15)25-20/h4-8,11,14H,9-10H2,1-3H3,(H2,21,23,24,25,26).
What are the key properties of 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine?
6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine has a molecular weight of 406.45 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-[3-methoxy-4-(4-methylimidazol-1-yl)phenyl]-4-N-methyl-2-(oxetan-3-yl)pyrazolo[3,4-d]pyrimidine-4,6-diamine is sourced from PubChem (CID 178075710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).