4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C18H24N6 — CID 24797248

IUPAC4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(N3CCc4ccccc4C3)nc(N)n2)CC1
InChIInChI=1S/C18H24N6/c1-22-8-10-23(11-9-22)16-12-17(21-18(19)20-16)24-7-6-14-4-2-3-5-15(14)13-24/h2-5,12H,6-11,13H2,1H3,(H2,19,20,21)
InChIKeyPEEXFUMXYMIAJR-UHFFFAOYSA-N
MW324.43 g/mol
LogP1.37
Rot. Bonds2

About 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 24797248) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID24797248
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(c2cc(N3CCc4ccccc4C3)nc(N)n2)CC1
InChIInChI=1S/C18H24N6/c1-22-8-10-23(11-9-22)16-12-17(21-18(19)20-16)24-7-6-14-4-2-3-5-15(14)13-24/h2-5,12H,6-11,13H2,1H3,(H2,19,20,21)
InChIKeyPEEXFUMXYMIAJR-UHFFFAOYSA-N
XLogP1.37
TPSA61.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 24797248) is 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(c2cc(N3CCc4ccccc4C3)nc(N)n2)CC1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is PEEXFUMXYMIAJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-22-8-10-23(11-9-22)16-12-17(21-18(19)20-16)24-7-6-14-4-2-3-5-15(14)13-24/h2-5,12H,6-11,13H2,1H3,(H2,19,20,21).
What are the key properties of 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 324.43 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 24797248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).