[5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine

C10H9N7 — CID 96602690

IUPAC[5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine
SMILESNCc1ncc(-c2ncnc3nc[nH]c23)cn1
InChIInChI=1S/C10H9N7/c11-1-7-12-2-6(3-13-7)8-9-10(16-4-14-8)17-5-15-9/h2-5H,1,11H2,(H,14,15,16,17)
InChIKeyPHEQQSVGIYLVOT-UHFFFAOYSA-N
MW227.23 g/mol
LogP0.27
Rot. Bonds2

About [5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine

[5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine (PubChem CID 96602690) has the molecular formula C10H9N7 and a molecular weight of 227.23 g/mol. Its IUPAC name is [5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine.

Molecular Properties

Compound Name[5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine
PubChem CID96602690
Molecular FormulaC10H9N7
Molecular Weight227.23 g/mol
Exact Mass227.09
IUPAC Name[5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine
SMILESNCc1ncc(-c2ncnc3nc[nH]c23)cn1
InChIInChI=1S/C10H9N7/c11-1-7-12-2-6(3-13-7)8-9-10(16-4-14-8)17-5-15-9/h2-5H,1,11H2,(H,14,15,16,17)
InChIKeyPHEQQSVGIYLVOT-UHFFFAOYSA-N
XLogP0.27
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 50.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-(7H-purin-6-yl)aniline
CID 71426821
6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine
CID 15527163
6-(1,3-benzodioxol-5-yl)-7H-purine
CID 119064876
6-[4-(trifluoromethyl)phenyl]-7H-purine
CID 154460741
6-[4-(2-methoxyethoxy)phenyl]-7H-purine
CID 122559987
7H-purin-6-amine;hydrochloride
CID 169432832
CID 67796265
CID 67796265
N-[4-(7H-purin-6-yl)phenyl]ethanesulfonamide
CID 172688411
dicopper;dioxidanium;tetrakis(7H-purin-6-amine)
CID 5231973
6-(3-chloropyridazin-4-yl)-7H-purine
CID 164905912
3-fluoro-N-[[4-(7H-purin-6-yl)phenyl]methyl]aniline
CID 175807717
6-chloro-7H-purine
CID 53349102

Frequently Asked Questions

What is the IUPAC name of [5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine?
The IUPAC name of [5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine (CID 96602690) is [5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine.
What is the SMILES notation for [5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine?
The canonical SMILES for [5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine is NCc1ncc(-c2ncnc3nc[nH]c23)cn1.
What is the InChIKey of [5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine?
The InChIKey is PHEQQSVGIYLVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N7/c11-1-7-12-2-6(3-13-7)8-9-10(16-4-14-8)17-5-15-9/h2-5H,1,11H2,(H,14,15,16,17).
What are the key properties of [5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine?
[5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine has a molecular weight of 227.23 g/mol, XLogP of 0.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(7H-purin-6-yl)pyrimidin-2-yl]methanamine is sourced from PubChem (CID 96602690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).