N-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide

C12H19N7O2 — CID 114786133

IUPACN-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
SMILESCNc1nc(NC(C)C(=O)NCCOC)c2[nH]cnc2n1
InChIInChI=1S/C12H19N7O2/c1-7(11(20)14-4-5-21-3)17-10-8-9(16-6-15-8)18-12(13-2)19-10/h6-7H,4-5H2,1-3H3,(H,14,20)(H3,13,15,16,17,18,19)
InChIKeyBIWRJGVSRIQTIO-UHFFFAOYSA-N
MW293.33 g/mol
LogP-0.04
Rot. Bonds7

About N-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide

N-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide (PubChem CID 114786133) has the molecular formula C12H19N7O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
PubChem CID114786133
Molecular FormulaC12H19N7O2
Molecular Weight293.33 g/mol
Exact Mass293.16
IUPAC NameN-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
SMILESCNc1nc(NC(C)C(=O)NCCOC)c2[nH]cnc2n1
InChIInChI=1S/C12H19N7O2/c1-7(11(20)14-4-5-21-3)17-10-8-9(16-6-15-8)18-12(13-2)19-10/h6-7H,4-5H2,1-3H3,(H,14,20)(H3,13,15,16,17,18,19)
InChIKeyBIWRJGVSRIQTIO-UHFFFAOYSA-N
XLogP-0.04
TPSA116.85 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 5-0.04
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[(2-chloro-7H-purin-6-yl)amino]-N-methylpropanamide
CID 104697583
2-[[3,5-dichloro-6-(methylamino)-2-pyridinyl]amino]-N-(2-methoxyethyl)propanamide
CID 102759668
2-methyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propan-1-ol
CID 114785428
6-N-(2-methoxyethyl)-2-N-propyl-7H-purine-2,6-diamine
CID 114783641
2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide
CID 141417768
2-[(3-chloro-2-pyridinyl)amino]-N-(2-methoxyethyl)propanamide
CID 113407922
2-[[2-(methylamino)-7H-purin-6-yl]amino]-2-phenylethanol
CID 114785129
N,2,2-trimethyl-3-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide
CID 106280666
2-N-methyl-6-N-(1-piperidin-1-ylpropan-2-yl)-7H-purine-2,6-diamine
CID 114784296
N-(2-methoxyethyl)-2-(4-propan-2-yloxyanilino)propanamide
CID 43123159
N-methyl-2-[[2-(methylamino)-7H-purin-6-yl]amino]ethanesulfonamide
CID 106343102
2-N-ethyl-6-N-(1-methoxybutan-2-yl)-7H-purine-2,6-diamine
CID 114785349

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide?
The IUPAC name of N-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide (CID 114786133) is N-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide is CNc1nc(NC(C)C(=O)NCCOC)c2[nH]cnc2n1.
What is the InChIKey of N-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide?
The InChIKey is BIWRJGVSRIQTIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N7O2/c1-7(11(20)14-4-5-21-3)17-10-8-9(16-6-15-8)18-12(13-2)19-10/h6-7H,4-5H2,1-3H3,(H,14,20)(H3,13,15,16,17,18,19).
What are the key properties of N-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide?
N-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide has a molecular weight of 293.33 g/mol, XLogP of -0.04, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[[2-(methylamino)-7H-purin-6-yl]amino]propanamide is sourced from PubChem (CID 114786133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).