6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine

C13H19N5O — CID 106207536

IUPAC6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine
SMILESCCCNc1nc(OCCC2CC2)c2[nH]cnc2n1
InChIInChI=1S/C13H19N5O/c1-2-6-14-13-17-11-10(15-8-16-11)12(18-13)19-7-5-9-3-4-9/h8-9H,2-7H2,1H3,(H2,14,15,16,17,18)
InChIKeyUPQLRNHRTJEONH-UHFFFAOYSA-N
MW261.33 g/mol
LogP2.35
Rot. Bonds7

About 6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine

6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine (PubChem CID 106207536) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine.

Molecular Properties

Compound Name6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine
PubChem CID106207536
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine
SMILESCCCNc1nc(OCCC2CC2)c2[nH]cnc2n1
InChIInChI=1S/C13H19N5O/c1-2-6-14-13-17-11-10(15-8-16-11)12(18-13)19-7-5-9-3-4-9/h8-9H,2-7H2,1H3,(H2,14,15,16,17,18)
InChIKeyUPQLRNHRTJEONH-UHFFFAOYSA-N
XLogP2.35
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

O-(6)-Methylguanine
CID 65275
NU-2058
CID 4564
6-Ethoxypurine
CID 87338
O6-Substituted Guanine Deriv. 24
CID 5329510
6-Methoxy-9H-purine
CID 70632
O6-Allylguanine
CID 179571
6-[(2-methylprop-2-en-1-yl)oxy]-9H-purin-2-amine
CID 5329503
O6-Substituted Guanine Deriv. 26
CID 5329511
O6-Substituted Guanine Deriv. 27
CID 5329512
1-[(2-Amino-6,9-Dihydro-1h-Purin-6-Yl)Oxy]-3-Methyl-2-Butanol
CID 445940
6-(Cyclohexylmethoxy)-8-isopropyl-9H-purin-2-amine
CID 9547890
Purine, 2-amino-6-propoxy-
CID 95802

Frequently Asked Questions

What is the IUPAC name of 6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine?
The IUPAC name of 6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine (CID 106207536) is 6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine.
What is the SMILES notation for 6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine?
The canonical SMILES for 6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine is CCCNc1nc(OCCC2CC2)c2[nH]cnc2n1.
What is the InChIKey of 6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine?
The InChIKey is UPQLRNHRTJEONH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-2-6-14-13-17-11-10(15-8-16-11)12(18-13)19-7-5-9-3-4-9/h8-9H,2-7H2,1H3,(H2,14,15,16,17,18).
What are the key properties of 6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine?
6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine has a molecular weight of 261.33 g/mol, XLogP of 2.35, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-cyclopropylethoxy)-N-propyl-7H-purin-2-amine is sourced from PubChem (CID 106207536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).