N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine

C17H20N6O3 — CID 45493316

IUPACN-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine
SMILESCOc1ccc(Nc2nc(N3CCOCC3)c3[nH]cnc3n2)cc1OC
InChIInChI=1S/C17H20N6O3/c1-24-12-4-3-11(9-13(12)25-2)20-17-21-15-14(18-10-19-15)16(22-17)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyHQTWCSJFLUYOJR-UHFFFAOYSA-N
MW356.39 g/mol
LogP1.95
Rot. Bonds5

About N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine

N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine (PubChem CID 45493316) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine
PubChem CID45493316
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC NameN-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine
SMILESCOc1ccc(Nc2nc(N3CCOCC3)c3[nH]cnc3n2)cc1OC
InChIInChI=1S/C17H20N6O3/c1-24-12-4-3-11(9-13(12)25-2)20-17-21-15-14(18-10-19-15)16(22-17)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,18,19,20,21,22)
InChIKeyHQTWCSJFLUYOJR-UHFFFAOYSA-N
XLogP1.95
TPSA97.42 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-N-(3,4-dimethoxyphenyl)-4-N-(4-methoxyphenyl)-6-morpholin-4-yl-1,3,5-triazine-2,4-diamine
CID 18580158
2-(6-morpholin-4-yl-3-pyridinyl)-N-(3,4,5-trimethoxyphenyl)-7H-purin-6-amine
CID 117091578
6-[4-(dimethylamino)phenyl]-N-(4-morpholin-4-ylphenyl)-7H-purin-2-amine
CID 174581810
N-[3-methyl-4-(methylideneamino)phenyl]-6-(4-methylpiperazin-1-yl)-7H-purin-2-amine
CID 145496997
N-(3,4-dimethoxyphenyl)-2-(4-morpholin-4-ylphenyl)imidazo[1,2-a]pyrimidin-3-amine
CID 15990367
1-[4-[4-[(6-piperidin-1-yl-7H-purin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
CID 174686616
2-N-(4-amino-3-methoxyphenyl)-6-N-methyl-7H-purine-2,6-diamine
CID 145496990
4-[2-(1H-indol-6-yl)-7H-purin-6-yl]morpholine
CID 46225260
2-N,8-N-bis(3-fluorophenyl)-6-morpholin-4-yl-7H-purine-2,8-diamine
CID 10410037
[2-(3,4-dimethoxyanilino)pyrimidin-4-yl]-morpholin-4-ylmethanone
CID 109300640
8-methyl-N-(4-morpholin-4-ylphenyl)-6-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-7H-purin-2-amine
CID 25060894
N-(3,4-dimethoxyphenyl)-2-propyl-7H-purin-6-amine
CID 10591280

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine?
The IUPAC name of N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine (CID 45493316) is N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine is COc1ccc(Nc2nc(N3CCOCC3)c3[nH]cnc3n2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine?
The InChIKey is HQTWCSJFLUYOJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-24-12-4-3-11(9-13(12)25-2)20-17-21-15-14(18-10-19-15)16(22-17)23-5-7-26-8-6-23/h3-4,9-10H,5-8H2,1-2H3,(H2,18,19,20,21,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine?
N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine has a molecular weight of 356.39 g/mol, XLogP of 1.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-6-morpholin-4-yl-7H-purin-2-amine is sourced from PubChem (CID 45493316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).