N-methyl-2-(7H-purin-6-yloxy)propan-1-amine

C9H13N5O — CID 62348916

IUPACN-methyl-2-(7H-purin-6-yloxy)propan-1-amine
SMILESCNCC(C)Oc1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5O/c1-6(3-10-2)15-9-7-8(12-4-11-7)13-5-14-9/h4-6,10H,3H2,1-2H3,(H,11,12,13,14)
InChIKeyQGXVGOKXPUEONT-UHFFFAOYSA-N
MW207.24 g/mol
LogP0.34
Rot. Bonds4

About N-methyl-2-(7H-purin-6-yloxy)propan-1-amine

N-methyl-2-(7H-purin-6-yloxy)propan-1-amine (PubChem CID 62348916) has the molecular formula C9H13N5O and a molecular weight of 207.24 g/mol. Its IUPAC name is N-methyl-2-(7H-purin-6-yloxy)propan-1-amine.

Molecular Properties

Compound NameN-methyl-2-(7H-purin-6-yloxy)propan-1-amine
PubChem CID62348916
Molecular FormulaC9H13N5O
Molecular Weight207.24 g/mol
Exact Mass207.11
IUPAC NameN-methyl-2-(7H-purin-6-yloxy)propan-1-amine
SMILESCNCC(C)Oc1ncnc2nc[nH]c12
InChIInChI=1S/C9H13N5O/c1-6(3-10-2)15-9-7-8(12-4-11-7)13-5-14-9/h4-6,10H,3H2,1-2H3,(H,11,12,13,14)
InChIKeyQGXVGOKXPUEONT-UHFFFAOYSA-N
XLogP0.34
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.24
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(2S)-butan-2-yl]oxy-7H-purine
CID 11819897
tris(dimethylamino)-(7H-purin-6-yloxy)phosphanium
CID 24751262
N-methyl-2-(7H-purin-6-ylsulfanyl)ethanamine
CID 62255575
6-prop-2-enoxy-7H-purine
CID 3816971
N-[(2S)-1-methoxypropan-2-yl]-7H-purin-6-amine
CID 40514758
3-methyl-1-(7H-purin-6-ylamino)butan-2-ol
CID 5042339
iodomethane;N-methyl-7H-purin-6-amine
CID 142609463
2-(7H-purin-6-yloxy)acetic acid
CID 114335218
2-methyl-N-(7H-purin-6-yl)butane-1,4-diamine
CID 66109410
N'-propan-2-yl-N-(7H-purin-6-yl)ethane-1,2-diamine
CID 62664479
N-(2,2-difluoroethyl)-7H-purin-6-amine
CID 79098846
6-(4-propan-2-yloxyphenyl)sulfanyl-7H-purine
CID 140979996

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-(7H-purin-6-yloxy)propan-1-amine?
The IUPAC name of N-methyl-2-(7H-purin-6-yloxy)propan-1-amine (CID 62348916) is N-methyl-2-(7H-purin-6-yloxy)propan-1-amine.
What is the SMILES notation for N-methyl-2-(7H-purin-6-yloxy)propan-1-amine?
The canonical SMILES for N-methyl-2-(7H-purin-6-yloxy)propan-1-amine is CNCC(C)Oc1ncnc2nc[nH]c12.
What is the InChIKey of N-methyl-2-(7H-purin-6-yloxy)propan-1-amine?
The InChIKey is QGXVGOKXPUEONT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N5O/c1-6(3-10-2)15-9-7-8(12-4-11-7)13-5-14-9/h4-6,10H,3H2,1-2H3,(H,11,12,13,14).
What are the key properties of N-methyl-2-(7H-purin-6-yloxy)propan-1-amine?
N-methyl-2-(7H-purin-6-yloxy)propan-1-amine has a molecular weight of 207.24 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-(7H-purin-6-yloxy)propan-1-amine is sourced from PubChem (CID 62348916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).