8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine

C14H17N7 — CID 56730239

IUPAC8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine
SMILESCc1nc2c(NC(C)c3ccccn3)nc(N)nc2n1C
InChIInChI=1S/C14H17N7/c1-8(10-6-4-5-7-16-10)17-12-11-13(20-14(15)19-12)21(3)9(2)18-11/h4-8H,1-3H3,(H3,15,17,19,20)
InChIKeyDCWFWMUWQIUUJA-UHFFFAOYSA-N
MW283.34 g/mol
LogP1.82
Rot. Bonds3

About 8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine

8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine (PubChem CID 56730239) has the molecular formula C14H17N7 and a molecular weight of 283.34 g/mol. Its IUPAC name is 8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine.

Molecular Properties

Compound Name8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine
PubChem CID56730239
Molecular FormulaC14H17N7
Molecular Weight283.34 g/mol
Exact Mass283.15
IUPAC Name8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine
SMILESCc1nc2c(NC(C)c3ccccn3)nc(N)nc2n1C
InChIInChI=1S/C14H17N7/c1-8(10-6-4-5-7-16-10)17-12-11-13(20-14(15)19-12)21(3)9(2)18-11/h4-8H,1-3H3,(H3,15,17,19,20)
InChIKeyDCWFWMUWQIUUJA-UHFFFAOYSA-N
XLogP1.82
TPSA94.54 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.34
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine
CID 118423308
6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine
CID 115669349
4-N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324894
2,5-dimethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781352
1,2-dimethyl-N-[(1S)-1-pyridin-2-ylethyl]benzimidazol-5-amine
CID 99851890
2-methyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-4,6-diamine
CID 80781349
1,4-dimethyl-N-(1-pyridin-2-ylethyl)imidazol-2-amine
CID 106562229
4-N-(1-pyridin-2-ylethyl)pyrimidine-4,5-diamine
CID 79916401
(2S)-3-methyl-N-[(1R)-1-pyridin-2-ylethyl]butan-2-amine
CID 28648178
3-bromo-2-N-(1-pyridin-2-ylethyl)pyridine-2,5-diamine
CID 79531784
3,5-dimethyl-N-(1-pyridin-2-ylethyl)aniline
CID 43195401
4-chloro-N-(1-pyridin-2-ylethyl)aniline
CID 43194293

Frequently Asked Questions

What is the IUPAC name of 8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine?
The IUPAC name of 8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine (CID 56730239) is 8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine.
What is the SMILES notation for 8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine?
The canonical SMILES for 8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine is Cc1nc2c(NC(C)c3ccccn3)nc(N)nc2n1C.
What is the InChIKey of 8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine?
The InChIKey is DCWFWMUWQIUUJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N7/c1-8(10-6-4-5-7-16-10)17-12-11-13(20-14(15)19-12)21(3)9(2)18-11/h4-8H,1-3H3,(H3,15,17,19,20).
What are the key properties of 8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine?
8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine has a molecular weight of 283.34 g/mol, XLogP of 1.82, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-dimethyl-6-N-(1-pyridin-2-ylethyl)purine-2,6-diamine is sourced from PubChem (CID 56730239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).