N-(2,2-dimethoxypropyl)-7H-purin-6-amine

C10H15N5O2 — CID 139625079

IUPACN-(2,2-dimethoxypropyl)-7H-purin-6-amine
SMILESCOC(C)(CNc1ncnc2nc[nH]c12)OC
InChIInChI=1S/C10H15N5O2/c1-10(16-2,17-3)4-11-8-7-9(13-5-12-7)15-6-14-8/h5-6H,4H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyFPQFRURUFJBEBY-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.77
Rot. Bonds5

About N-(2,2-dimethoxypropyl)-7H-purin-6-amine

N-(2,2-dimethoxypropyl)-7H-purin-6-amine (PubChem CID 139625079) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-(2,2-dimethoxypropyl)-7H-purin-6-amine.

Molecular Properties

Compound NameN-(2,2-dimethoxypropyl)-7H-purin-6-amine
PubChem CID139625079
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-(2,2-dimethoxypropyl)-7H-purin-6-amine
SMILESCOC(C)(CNc1ncnc2nc[nH]c12)OC
InChIInChI=1S/C10H15N5O2/c1-10(16-2,17-3)4-11-8-7-9(13-5-12-7)15-6-14-8/h5-6H,4H2,1-3H3,(H2,11,12,13,14,15)
InChIKeyFPQFRURUFJBEBY-UHFFFAOYSA-N
XLogP0.77
TPSA84.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-2,2-dimethylpentyl)-7H-purin-6-amine
CID 106142020
N-[2-methyl-1-(7H-purin-6-ylamino)propan-2-yl]methanesulfonamide
CID 63859364
(7H-purin-6-ylamino)methanol
CID 86209273
N-butyl-7H-purin-6-amine;ethane
CID 154667457
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
N-[2-(3-fluorophenyl)-2-methylpropyl]-7H-purin-6-amine
CID 133308417
(2R)-1-(7H-purin-6-ylamino)-2-thiophen-3-ylpropan-2-ol
CID 95775337
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-(3-chloro-4-methoxybutyl)-7H-purin-6-amine
CID 106242996
2,2-dimethyl-4-(7H-purin-6-ylamino)butanoic acid
CID 114285512
N-[(3,4-dimethoxyphenyl)methyl]-7H-purin-6-amine
CID 11529329
N-[(3,5-dibromo-4-methoxyphenyl)methyl]-7H-purin-6-amine
CID 10223442

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethoxypropyl)-7H-purin-6-amine?
The IUPAC name of N-(2,2-dimethoxypropyl)-7H-purin-6-amine (CID 139625079) is N-(2,2-dimethoxypropyl)-7H-purin-6-amine.
What is the SMILES notation for N-(2,2-dimethoxypropyl)-7H-purin-6-amine?
The canonical SMILES for N-(2,2-dimethoxypropyl)-7H-purin-6-amine is COC(C)(CNc1ncnc2nc[nH]c12)OC.
What is the InChIKey of N-(2,2-dimethoxypropyl)-7H-purin-6-amine?
The InChIKey is FPQFRURUFJBEBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-10(16-2,17-3)4-11-8-7-9(13-5-12-7)15-6-14-8/h5-6H,4H2,1-3H3,(H2,11,12,13,14,15).
What are the key properties of N-(2,2-dimethoxypropyl)-7H-purin-6-amine?
N-(2,2-dimethoxypropyl)-7H-purin-6-amine has a molecular weight of 237.26 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethoxypropyl)-7H-purin-6-amine is sourced from PubChem (CID 139625079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).