N-(isoquinolin-5-ylmethyl)-N-methyl-4-pyridin-3-ylpyrimidin-2-amine

C20H17N5 — CID 72940813

IUPACN-(isoquinolin-5-ylmethyl)-N-methyl-4-pyridin-3-ylpyrimidin-2-amine
SMILESCN(Cc1cccc2cnccc12)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C20H17N5/c1-25(14-17-5-2-4-15-12-22-10-7-18(15)17)20-23-11-8-19(24-20)16-6-3-9-21-13-16/h2-13H,14H2,1H3
InChIKeyCRARDODWMQJINB-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.72
Rot. Bonds4

About N-(isoquinolin-5-ylmethyl)-N-methyl-4-pyridin-3-ylpyrimidin-2-amine

N-(isoquinolin-5-ylmethyl)-N-methyl-4-pyridin-3-ylpyrimidin-2-amine (PubChem CID 72940813) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-N-methyl-4-pyridin-3-ylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-N-methyl-4-pyridin-3-ylpyrimidin-2-amine
PubChem CID72940813
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC NameN-(isoquinolin-5-ylmethyl)-N-methyl-4-pyridin-3-ylpyrimidin-2-amine
SMILESCN(Cc1cccc2cnccc12)c1nccc(-c2cccnc2)n1
InChIInChI=1S/C20H17N5/c1-25(14-17-5-2-4-15-12-22-10-7-18(15)17)20-23-11-8-19(24-20)16-6-3-9-21-13-16/h2-13H,14H2,1H3
InChIKeyCRARDODWMQJINB-UHFFFAOYSA-N
XLogP3.72
TPSA54.80 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methyl-4-pyridin-3-ylpyrimidin-2-amine?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methyl-4-pyridin-3-ylpyrimidin-2-amine (CID 72940813) is N-(isoquinolin-5-ylmethyl)-N-methyl-4-pyridin-3-ylpyrimidin-2-amine.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-N-methyl-4-pyridin-3-ylpyrimidin-2-amine?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-N-methyl-4-pyridin-3-ylpyrimidin-2-amine is CN(Cc1cccc2cnccc12)c1nccc(-c2cccnc2)n1.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-N-methyl-4-pyridin-3-ylpyrimidin-2-amine?
The InChIKey is CRARDODWMQJINB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-25(14-17-5-2-4-15-12-22-10-7-18(15)17)20-23-11-8-19(24-20)16-6-3-9-21-13-16/h2-13H,14H2,1H3.
What are the key properties of N-(isoquinolin-5-ylmethyl)-N-methyl-4-pyridin-3-ylpyrimidin-2-amine?
N-(isoquinolin-5-ylmethyl)-N-methyl-4-pyridin-3-ylpyrimidin-2-amine has a molecular weight of 327.39 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(isoquinolin-5-ylmethyl)-N-methyl-4-pyridin-3-ylpyrimidin-2-amine is sourced from PubChem (CID 72940813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).