6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine

C12H13N7 — CID 115669349

IUPAC6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine
SMILESCC(Nc1nc(N)nc2nc[nH]c12)c1ccccn1
InChIInChI=1S/C12H13N7/c1-7(8-4-2-3-5-14-8)17-11-9-10(16-6-15-9)18-12(13)19-11/h2-7H,1H3,(H4,13,15,16,17,18,19)
InChIKeyGRKNFRWODDDUGQ-UHFFFAOYSA-N
MW255.29 g/mol
LogP1.50
Rot. Bonds3

About 6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine

6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine (PubChem CID 115669349) has the molecular formula C12H13N7 and a molecular weight of 255.29 g/mol. Its IUPAC name is 6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine.

Molecular Properties

Compound Name6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine
PubChem CID115669349
Molecular FormulaC12H13N7
Molecular Weight255.29 g/mol
Exact Mass255.12
IUPAC Name6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine
SMILESCC(Nc1nc(N)nc2nc[nH]c12)c1ccccn1
InChIInChI=1S/C12H13N7/c1-7(8-4-2-3-5-14-8)17-11-9-10(16-6-15-9)18-12(13)19-11/h2-7H,1H3,(H4,13,15,16,17,18,19)
InChIKeyGRKNFRWODDDUGQ-UHFFFAOYSA-N
XLogP1.50
TPSA105.40 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.29
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

6-N-[1-(furan-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623197
6-N-[1-(5-chlorothiophen-2-yl)ethyl]-7H-purine-2,6-diamine
CID 104623268
6-N-[(1S)-1-(1-methyl-6-pyridin-2-ylpyrrolo[3,2-b]pyridin-5-yl)ethyl]-7H-purine-2,6-diamine
CID 73055402
5-amino-4-(1-pyridin-2-ylethylamino)-1H-pyrimidin-6-one
CID 136973977
6-N-(1-phenylpropyl)-7H-purine-2,6-diamine
CID 104623517
6-N-[(3R)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950737
6-N-[(3S)-2-methylpentan-3-yl]-7H-purine-2,6-diamine
CID 67950738
6-N-[1-(4-methyl-1,2,4-triazol-3-yl)ethyl]-7H-purine-2,6-diamine
CID 104623322
4-N-(1-pyridin-2-ylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324894
6-N-tert-butyl-7H-purine-2,6-diamine
CID 114783406
2-[(2-amino-7H-purin-6-yl)amino]-N-hydroxypropanamide
CID 141417768
8-fluoro-4-N-[(1R)-1-pyridin-2-ylethyl]quinazoline-2,4-diamine
CID 118423308

Frequently Asked Questions

What is the IUPAC name of 6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine?
The IUPAC name of 6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine (CID 115669349) is 6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine.
What is the SMILES notation for 6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine?
The canonical SMILES for 6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine is CC(Nc1nc(N)nc2nc[nH]c12)c1ccccn1.
What is the InChIKey of 6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine?
The InChIKey is GRKNFRWODDDUGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N7/c1-7(8-4-2-3-5-14-8)17-11-9-10(16-6-15-9)18-12(13)19-11/h2-7H,1H3,(H4,13,15,16,17,18,19).
What are the key properties of 6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine?
6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine has a molecular weight of 255.29 g/mol, XLogP of 1.50, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(1-pyridin-2-ylethyl)-7H-purine-2,6-diamine is sourced from PubChem (CID 115669349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).