1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine

C10H10N6 — CID 71104814

IUPAC1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine
SMILESCn1cc(N)cc1-c1nc2ncncc2[nH]1
InChIInChI=1S/C10H10N6/c1-16-4-6(11)2-8(16)10-14-7-3-12-5-13-9(7)15-10/h2-5H,11H2,1H3,(H,12,13,14,15)
InChIKeyQKZWLINJAHWDCC-UHFFFAOYSA-N
MW214.23 g/mol
LogP0.94
Rot. Bonds1

About 1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine

1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine (PubChem CID 71104814) has the molecular formula C10H10N6 and a molecular weight of 214.23 g/mol. Its IUPAC name is 1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine.

Molecular Properties

Compound Name1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine
PubChem CID71104814
Molecular FormulaC10H10N6
Molecular Weight214.23 g/mol
Exact Mass214.10
IUPAC Name1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine
SMILESCn1cc(N)cc1-c1nc2ncncc2[nH]1
InChIInChI=1S/C10H10N6/c1-16-4-6(11)2-8(16)10-14-7-3-12-5-13-9(7)15-10/h2-5H,11H2,1H3,(H,12,13,14,15)
InChIKeyQKZWLINJAHWDCC-UHFFFAOYSA-N
XLogP0.94
TPSA85.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine?
The IUPAC name of 1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine (CID 71104814) is 1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine.
What is the SMILES notation for 1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine?
The canonical SMILES for 1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine is Cn1cc(N)cc1-c1nc2ncncc2[nH]1.
What is the InChIKey of 1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine?
The InChIKey is QKZWLINJAHWDCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6/c1-16-4-6(11)2-8(16)10-14-7-3-12-5-13-9(7)15-10/h2-5H,11H2,1H3,(H,12,13,14,15).
What are the key properties of 1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine?
1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine has a molecular weight of 214.23 g/mol, XLogP of 0.94, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-(7H-purin-8-yl)pyrrol-3-amine is sourced from PubChem (CID 71104814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).