6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine

C19H16N6 — CID 58942257

IUPAC6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine
SMILESCc1ccc2c(N)nccc2c1Nc1ncccc1-c1ccncn1
InChIInChI=1S/C19H16N6/c1-12-4-5-14-13(6-10-22-18(14)20)17(12)25-19-15(3-2-8-23-19)16-7-9-21-11-24-16/h2-11H,1H3,(H2,20,22)(H,23,25)
InChIKeyPKWQZQAWIQUDLM-UHFFFAOYSA-N
MW328.38 g/mol
LogP3.72
Rot. Bonds3

About 6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine

6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine (PubChem CID 58942257) has the molecular formula C19H16N6 and a molecular weight of 328.38 g/mol. Its IUPAC name is 6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine.

Molecular Properties

Compound Name6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine
PubChem CID58942257
Molecular FormulaC19H16N6
Molecular Weight328.38 g/mol
Exact Mass328.14
IUPAC Name6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine
SMILESCc1ccc2c(N)nccc2c1Nc1ncccc1-c1ccncn1
InChIInChI=1S/C19H16N6/c1-12-4-5-14-13(6-10-22-18(14)20)17(12)25-19-15(3-2-8-23-19)16-7-9-21-11-24-16/h2-11H,1H3,(H2,20,22)(H,23,25)
InChIKeyPKWQZQAWIQUDLM-UHFFFAOYSA-N
XLogP3.72
TPSA89.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine?
The IUPAC name of 6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine (CID 58942257) is 6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine.
What is the SMILES notation for 6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine?
The canonical SMILES for 6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine is Cc1ccc2c(N)nccc2c1Nc1ncccc1-c1ccncn1.
What is the InChIKey of 6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine?
The InChIKey is PKWQZQAWIQUDLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N6/c1-12-4-5-14-13(6-10-22-18(14)20)17(12)25-19-15(3-2-8-23-19)16-7-9-21-11-24-16/h2-11H,1H3,(H2,20,22)(H,23,25).
What are the key properties of 6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine?
6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine has a molecular weight of 328.38 g/mol, XLogP of 3.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-N-(3-pyrimidin-4-yl-2-pyridinyl)isoquinoline-1,5-diamine is sourced from PubChem (CID 58942257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).