amino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol

C13H19N5O — CID 176928022

IUPACamino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol
SMILESCCc1nc(C)c2ncn(CC3(C(N)O)CC3)c2n1
InChIInChI=1S/C13H19N5O/c1-3-9-16-8(2)10-11(17-9)18(7-15-10)6-13(4-5-13)12(14)19/h7,12,19H,3-6,14H2,1-2H3
InChIKeyAZRHXRZUUOWGII-UHFFFAOYSA-N
MW261.33 g/mol
LogP0.75
Rot. Bonds4

About amino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol

amino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol (PubChem CID 176928022) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is amino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol.

Molecular Properties

Compound Nameamino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol
PubChem CID176928022
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Nameamino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol
SMILESCCc1nc(C)c2ncn(CC3(C(N)O)CC3)c2n1
InChIInChI=1S/C13H19N5O/c1-3-9-16-8(2)10-11(17-9)18(7-15-10)6-13(4-5-13)12(14)19/h7,12,19H,3-6,14H2,1-2H3
InChIKeyAZRHXRZUUOWGII-UHFFFAOYSA-N
XLogP0.75
TPSA89.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 50.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze amino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[[2,6-di(propan-2-yl)purin-9-yl]methyl]cyclopropane-1-carboxamide
CID 176927591
2-[(2-amino-6-methylpurin-9-yl)methoxy]butan-1-ol
CID 91543921
2-benzyl-6-methylpurin-9-amine
CID 175037804
9-[(4-methoxyphenyl)methyl]-2,6-dimethylpurine
CID 71171876
(2R)-1-(2,6-diaminopurin-9-yl)propan-2-ol
CID 70039769
3-[1-(2-ethyl-6-propylpurin-9-yl)ethyl]pyridin-2-amine
CID 176927507
1-(4,5-dimethylimidazol-1-yl)butan-2-amine
CID 62350728
3,6-dimethyl-1-pentan-3-ylpyrazolo[3,4-b]pyrazine
CID 59995659
(2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol
CID 94410818
2-[1-[(2-amino-6-oxo-1H-purin-9-yl)methyl]cyclopropyl]ethenoxy-hydroxy-oxophosphanium
CID 174450491
4-[4-[9-(2-hydroxyethyl)-6-methylpurin-2-yl]piperazin-1-yl]phenol
CID 155102762
(2R)-1-(2,6-diaminopurin-9-yl)-3-ethoxypropan-2-ol
CID 67450867

Frequently Asked Questions

What is the IUPAC name of amino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol?
The IUPAC name of amino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol (CID 176928022) is amino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol.
What is the SMILES notation for amino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol?
The canonical SMILES for amino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol is CCc1nc(C)c2ncn(CC3(C(N)O)CC3)c2n1.
What is the InChIKey of amino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol?
The InChIKey is AZRHXRZUUOWGII-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-3-9-16-8(2)10-11(17-9)18(7-15-10)6-13(4-5-13)12(14)19/h7,12,19H,3-6,14H2,1-2H3.
What are the key properties of amino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol?
amino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol has a molecular weight of 261.33 g/mol, XLogP of 0.75, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[1-[(2-ethyl-6-methylpurin-9-yl)methyl]cyclopropyl]methanol is sourced from PubChem (CID 176928022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).