2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide

C18H23N7O — CID 136553586

IUPAC2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide
SMILESCC(C)N(C)c1cccc(NC(=O)C(C)n2cnc3c(N)ncnc32)c1
InChIInChI=1S/C18H23N7O/c1-11(2)24(4)14-7-5-6-13(8-14)23-18(26)12(3)25-10-22-15-16(19)20-9-21-17(15)25/h5-12H,1-4H3,(H,23,26)(H2,19,20,21)
InChIKeyWHHVRHYSVZCPFH-UHFFFAOYSA-N
MW353.43 g/mol
LogP2.45
Rot. Bonds5

About 2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide

2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide (PubChem CID 136553586) has the molecular formula C18H23N7O and a molecular weight of 353.43 g/mol. Its IUPAC name is 2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide.

Molecular Properties

Compound Name2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide
PubChem CID136553586
Molecular FormulaC18H23N7O
Molecular Weight353.43 g/mol
Exact Mass353.20
IUPAC Name2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide
SMILESCC(C)N(C)c1cccc(NC(=O)C(C)n2cnc3c(N)ncnc32)c1
InChIInChI=1S/C18H23N7O/c1-11(2)24(4)14-7-5-6-13(8-14)23-18(26)12(3)25-10-22-15-16(19)20-9-21-17(15)25/h5-12H,1-4H3,(H,23,26)(H2,19,20,21)
InChIKeyWHHVRHYSVZCPFH-UHFFFAOYSA-N
XLogP2.45
TPSA101.96 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-(2-amino-2-oxoethoxy)phenyl]-2-(6-aminopurin-9-yl)propanamide
CID 167947694
2-(6-aminopurin-9-yl)-N-(4-cyclobutyloxy-3-fluorophenyl)propanamide
CID 136553672
2-(6-aminopurin-9-yl)-N-(7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)propanamide
CID 136553752
2-(6-aminopurin-9-yl)-N-[4-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]propanamide
CID 138034324
2-(6-aminopurin-9-yl)-N-[2-methyl-5-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 166244455
2-methyl-3-(methylamino)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide;dihydrochloride
CID 119883171
methyl 2-[2-(6-aminopurin-9-yl)propanoylamino]-4,4-dimethylpentanoate
CID 146107744
2-[[2-(6-aminopurin-9-yl)-1-anilinopropylidene]amino]-6-fluorobenzenesulfinic acid
CID 130337558
4-(2-methylimidazol-1-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]butanamide
CID 56785420
(2R)-2-amino-2-(6-aminopurin-9-yl)acetic acid
CID 40601282
2-(6-aminopurin-9-yl)-1-(4-pyridin-4-ylpiperazin-1-yl)propan-1-one
CID 154783795
1-amino-N-[3-[methyl(propan-2-yl)amino]phenyl]cyclopentane-1-carboxamide;dihydrochloride
CID 119883155

Frequently Asked Questions

What is the IUPAC name of 2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide?
The IUPAC name of 2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide (CID 136553586) is 2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide.
What is the SMILES notation for 2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide?
The canonical SMILES for 2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide is CC(C)N(C)c1cccc(NC(=O)C(C)n2cnc3c(N)ncnc32)c1.
What is the InChIKey of 2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide?
The InChIKey is WHHVRHYSVZCPFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O/c1-11(2)24(4)14-7-5-6-13(8-14)23-18(26)12(3)25-10-22-15-16(19)20-9-21-17(15)25/h5-12H,1-4H3,(H,23,26)(H2,19,20,21).
What are the key properties of 2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide?
2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide has a molecular weight of 353.43 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-aminopurin-9-yl)-N-[3-[methyl(propan-2-yl)amino]phenyl]propanamide is sourced from PubChem (CID 136553586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).