2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol

C18H26N6O2 — CID 51049530

IUPAC2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol
SMILESCOc1ccc(CNc2nc(NCCO)nc3c2NCN3C(C)C)cc1
InChIInChI=1S/C18H26N6O2/c1-12(2)24-11-21-15-16(22-18(19-8-9-25)23-17(15)24)20-10-13-4-6-14(26-3)7-5-13/h4-7,12,21,25H,8-11H2,1-3H3,(H2,19,20,22,23)
InChIKeyLGEALNIIYZFOFB-UHFFFAOYSA-N
MW358.45 g/mol
LogP2.10
Rot. Bonds8

About 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol

2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol (PubChem CID 51049530) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol.

Molecular Properties

Compound Name2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol
PubChem CID51049530
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol
SMILESCOc1ccc(CNc2nc(NCCO)nc3c2NCN3C(C)C)cc1
InChIInChI=1S/C18H26N6O2/c1-12(2)24-11-21-15-16(22-18(19-8-9-25)23-17(15)24)20-10-13-4-6-14(26-3)7-5-13/h4-7,12,21,25H,8-11H2,1-3H3,(H2,19,20,22,23)
InChIKeyLGEALNIIYZFOFB-UHFFFAOYSA-N
XLogP2.10
TPSA94.57 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 52.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol with MolForge

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Related Compounds

13-(Methylamino)-23,24,25-Trioxa-17,18,19,21-Tetrazatetracyclo-Tricosa-1(3),2(10),4(11),12(14),13(18),16(19)-Hexan-15-One
CID 118704899
1-(6-{[(4-methoxyphenyl)methyl]amino}-9-(propan-2-yl)-9H-purin-2-yl)-3-methylpent-1-yn-3-ol
CID 6538932
1-{6-[(4-ethoxybenzyl)amino]-9-isopropyl-9H-purin-2-yl}-3-methylpent-1-yn-3-ol
CID 6538949
Cvt-313
CID 6918386
9-cyclopentyl-6-{[(4-methoxyphenyl)methyl]amino}-9H-purine-2-carbonitrile
CID 24778054
9-benzyl-6-{[(4-methoxyphenyl)methyl]amino}-9H-purine-2-carbonitrile
CID 24778318
9-butyl-6-{[(4-methoxyphenyl)methyl]amino}-9H-purine-2-carbonitrile
CID 24778439
6-(benzylamino)-9-[(4-methoxyphenyl)methyl]-9H-purine-2-carbonitrile
CID 24778442
6-(4-methoxybenzylamino) core C2-substituent, 16
CID 51049543
6-(4-methoxybenzylamino) core C2-substituent, 75
CID 51049547
6-(4-methoxybenzylamino) core C2-substituent, 33
CID 51049549
6-(4-methoxybenzylamino) core C2-substituent, 36
CID 51049550

Frequently Asked Questions

What is the IUPAC name of 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol?
The IUPAC name of 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol (CID 51049530) is 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol.
What is the SMILES notation for 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol?
The canonical SMILES for 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol is COc1ccc(CNc2nc(NCCO)nc3c2NCN3C(C)C)cc1.
What is the InChIKey of 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol?
The InChIKey is LGEALNIIYZFOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-12(2)24-11-21-15-16(22-18(19-8-9-25)23-17(15)24)20-10-13-4-6-14(26-3)7-5-13/h4-7,12,21,25H,8-11H2,1-3H3,(H2,19,20,22,23).
What are the key properties of 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol?
2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol has a molecular weight of 358.45 g/mol, XLogP of 2.10, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-[(4-methoxyphenyl)methylamino]-9-propan-2-yl-7,8-dihydropurin-2-yl]amino]ethanol is sourced from PubChem (CID 51049530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).