N-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine

C24H26N6O3 — CID 58060495

IUPACN-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1ccc(NC2=Nc3c(nc(OCCOc4ccccn4)nc3N3CCOCC3)C2)cc1
InChIInChI=1S/C24H26N6O3/c1-17-5-7-18(8-6-17)26-20-16-19-22(28-20)23(30-10-12-31-13-11-30)29-24(27-19)33-15-14-32-21-4-2-3-9-25-21/h2-9H,10-16H2,1H3,(H,26,28)
InChIKeyTVGCKZYWVOYTGX-UHFFFAOYSA-N
MW446.51 g/mol
LogP3.17
Rot. Bonds7

About N-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine

N-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine (PubChem CID 58060495) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is N-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine.

Molecular Properties

Compound NameN-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine
PubChem CID58060495
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC NameN-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine
SMILESCc1ccc(NC2=Nc3c(nc(OCCOc4ccccn4)nc3N3CCOCC3)C2)cc1
InChIInChI=1S/C24H26N6O3/c1-17-5-7-18(8-6-17)26-20-16-19-22(28-20)23(30-10-12-31-13-11-30)29-24(27-19)33-15-14-32-21-4-2-3-9-25-21/h2-9H,10-16H2,1H3,(H,26,28)
InChIKeyTVGCKZYWVOYTGX-UHFFFAOYSA-N
XLogP3.17
TPSA93.99 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Dsr-6434
CID 25071151
N-cycloheptyl-6-(2-morpholinoethoxy)pyrido[3,4-d]pyrimidin-4-amine
CID 11337722
N~6~-(3,4-Dimethoxyphenyl)-2-(Morpholin-4-Yl)-4,5'-Bipyrimidine-2',6-Diamine
CID 59507470
4-[2-methyl-3-[(2~{R})-2-pyridin-2-yloxypropyl]imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336092
4-[2-Methyl-3-(2-pyridin-2-yloxyethyl)imidazo[4,5-b]pyridin-5-yl]pyridine-2,6-diamine
CID 135336101
N,N-Dimethyl-4-[3-[4-[(5-methyl-2-pyridinyl)amino]phenoxy]-2-pyrazinyl]-1-piperidinecarboxamide
CID 59374169
N2-(4-(3-(piperidin-1-yl)propoxy)phenyl)-N4-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10275985
[3-(2-Imidazol-1-yl-ethoxy)-phenyl]-(4-pyridin-3-yl-pyrimidin-2-yl)-amine
CID 11371778
4-(6-amino-5-((ethoxyimino)methyl)pyrimidin-4-yl)-N-(6-cyclobutoxypyridin-3-yl)piperazine-1-carboxamide
CID 12004374
4-(6-amino-5-((methoxyimino)methyl)pyrimidin-4-yl)-N-(6-(cyclopentyloxy)pyridin-3-yl)piperazine-1-carboxamide
CID 12004396
N-[3-[2-(diethylamino)ethoxy]phenyl]-4-pyridin-4-ylpyrimidin-2-amine
CID 14347174
N-[4-[2-(Dimethylamino)ethoxy]phenyl]-4-(3-pyridinyl)-2-pyrimidinamine
CID 14347179

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine?
The IUPAC name of N-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine (CID 58060495) is N-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine.
What is the SMILES notation for N-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine?
The canonical SMILES for N-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine is Cc1ccc(NC2=Nc3c(nc(OCCOc4ccccn4)nc3N3CCOCC3)C2)cc1.
What is the InChIKey of N-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine?
The InChIKey is TVGCKZYWVOYTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N6O3/c1-17-5-7-18(8-6-17)26-20-16-19-22(28-20)23(30-10-12-31-13-11-30)29-24(27-19)33-15-14-32-21-4-2-3-9-25-21/h2-9H,10-16H2,1H3,(H,26,28).
What are the key properties of N-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine?
N-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine has a molecular weight of 446.51 g/mol, XLogP of 3.17, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-4-morpholin-4-yl-2-(2-pyridin-2-yloxyethoxy)-7H-pyrrolo[3,2-d]pyrimidin-6-amine is sourced from PubChem (CID 58060495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).