3-methyl-5-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinolin-1-amine

C20H15N7 — CID 68782227

IUPAC3-methyl-5-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinolin-1-amine
SMILESCc1cc2c(-c3ncccc3-c3ncnc4nc[nH]c34)cccc2c(N)n1
InChIInChI=1S/C20H15N7/c1-11-8-15-12(4-2-5-13(15)19(21)27-11)16-14(6-3-7-22-16)17-18-20(25-9-23-17)26-10-24-18/h2-10H,1H3,(H2,21,27)(H,23,24,25,26)
InChIKeyXMXJWDWIXMTSCI-UHFFFAOYSA-N
MW353.39 g/mol
LogP3.52
Rot. Bonds2

About 3-methyl-5-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinolin-1-amine

3-methyl-5-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinolin-1-amine (PubChem CID 68782227) has the molecular formula C20H15N7 and a molecular weight of 353.39 g/mol. Its IUPAC name is 3-methyl-5-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinolin-1-amine.

Molecular Properties

Compound Name3-methyl-5-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinolin-1-amine
PubChem CID68782227
Molecular FormulaC20H15N7
Molecular Weight353.39 g/mol
Exact Mass353.14
IUPAC Name3-methyl-5-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinolin-1-amine
SMILESCc1cc2c(-c3ncccc3-c3ncnc4nc[nH]c34)cccc2c(N)n1
InChIInChI=1S/C20H15N7/c1-11-8-15-12(4-2-5-13(15)19(21)27-11)16-14(6-3-7-22-16)17-18-20(25-9-23-17)26-10-24-18/h2-10H,1H3,(H2,21,27)(H,23,24,25,26)
InChIKeyXMXJWDWIXMTSCI-UHFFFAOYSA-N
XLogP3.52
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline;hydrazine
CID 87550137
3-(7H-purin-6-yl)aniline
CID 71426821
1-N-methyl-3-N-[3-(7H-purin-6-yl)-2-pyridinyl]benzene-1,3-diamine
CID 130321893
N-(3-ethynylphenyl)-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazolin-4-amine
CID 87572832
4-[4-(difluoromethoxy)phenyl]-7-methyl-8-[3-(7H-purin-6-yl)-2-pyridinyl]quinazoline
CID 68723599
6-(2-fluoro-5-methylphenyl)-7H-purine
CID 56859242
6-[2,5-bis(7H-purin-6-yl)phenyl]-7H-purine
CID 15527163
4-methoxy-1-N-methyl-3-N-[3-(7H-purin-6-yl)-2-pyridinyl]benzene-1,3-diamine
CID 130321821
phenanthridine;7H-purin-6-amine
CID 90006324
methanol;bis(7H-purin-6-amine);bis(pyridine-3-carboxamide)
CID 67811269
methanol;7H-purin-6-amine
CID 67194832
7H-purin-6-amine;hydrochloride
CID 169432832

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinolin-1-amine?
The IUPAC name of 3-methyl-5-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinolin-1-amine (CID 68782227) is 3-methyl-5-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinolin-1-amine.
What is the SMILES notation for 3-methyl-5-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinolin-1-amine?
The canonical SMILES for 3-methyl-5-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinolin-1-amine is Cc1cc2c(-c3ncccc3-c3ncnc4nc[nH]c34)cccc2c(N)n1.
What is the InChIKey of 3-methyl-5-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinolin-1-amine?
The InChIKey is XMXJWDWIXMTSCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7/c1-11-8-15-12(4-2-5-13(15)19(21)27-11)16-14(6-3-7-22-16)17-18-20(25-9-23-17)26-10-24-18/h2-10H,1H3,(H2,21,27)(H,23,24,25,26).
What are the key properties of 3-methyl-5-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinolin-1-amine?
3-methyl-5-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinolin-1-amine has a molecular weight of 353.39 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-[3-(7H-purin-6-yl)-2-pyridinyl]isoquinolin-1-amine is sourced from PubChem (CID 68782227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).