N-(isoquinolin-5-ylmethyl)-N-methyl-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine

C24H31N5 — CID 72862416

IUPACN-(isoquinolin-5-ylmethyl)-N-methyl-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
SMILESCCCc1cc(N2CCC(N(C)Cc3cccc4cnccc34)CC2)nc(C)n1
InChIInChI=1S/C24H31N5/c1-4-6-21-15-24(27-18(2)26-21)29-13-10-22(11-14-29)28(3)17-20-8-5-7-19-16-25-12-9-23(19)20/h5,7-9,12,15-16,22H,4,6,10-11,13-14,17H2,1-3H3
InChIKeyMAHFKCSPIXYANQ-UHFFFAOYSA-N
MW389.55 g/mol
LogP4.39
Rot. Bonds6

About N-(isoquinolin-5-ylmethyl)-N-methyl-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine

N-(isoquinolin-5-ylmethyl)-N-methyl-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 72862416) has the molecular formula C24H31N5 and a molecular weight of 389.55 g/mol. Its IUPAC name is N-(isoquinolin-5-ylmethyl)-N-methyl-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound NameN-(isoquinolin-5-ylmethyl)-N-methyl-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
PubChem CID72862416
Molecular FormulaC24H31N5
Molecular Weight389.55 g/mol
Exact Mass389.26
IUPAC NameN-(isoquinolin-5-ylmethyl)-N-methyl-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine
SMILESCCCc1cc(N2CCC(N(C)Cc3cccc4cnccc34)CC2)nc(C)n1
InChIInChI=1S/C24H31N5/c1-4-6-21-15-24(27-18(2)26-21)29-13-10-22(11-14-29)28(3)17-20-8-5-7-19-16-25-12-9-23(19)20/h5,7-9,12,15-16,22H,4,6,10-11,13-14,17H2,1-3H3
InChIKeyMAHFKCSPIXYANQ-UHFFFAOYSA-N
XLogP4.39
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.55
LogP ≤ 54.39
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-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of N-(isoquinolin-5-ylmethyl)-N-methyl-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine (CID 72862416) is N-(isoquinolin-5-ylmethyl)-N-methyl-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for N-(isoquinolin-5-ylmethyl)-N-methyl-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for N-(isoquinolin-5-ylmethyl)-N-methyl-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine is CCCc1cc(N2CCC(N(C)Cc3cccc4cnccc34)CC2)nc(C)n1.
What is the InChIKey of N-(isoquinolin-5-ylmethyl)-N-methyl-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is MAHFKCSPIXYANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5/c1-4-6-21-15-24(27-18(2)26-21)29-13-10-22(11-14-29)28(3)17-20-8-5-7-19-16-25-12-9-23(19)20/h5,7-9,12,15-16,22H,4,6,10-11,13-14,17H2,1-3H3.
What are the key properties of N-(isoquinolin-5-ylmethyl)-N-methyl-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine?
N-(isoquinolin-5-ylmethyl)-N-methyl-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 389.55 g/mol, XLogP of 4.39, 6 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-1-(2-methyl-6-propylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 72862416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).