4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine

C20H24N6 — CID 165433962

IUPAC4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine
SMILESCc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(N(C)C)n1
InChIInChI=1S/C20H24N6/c1-15-14-18(23-20(22-15)24(2)3)25-10-12-26(13-11-25)19-17-7-5-4-6-16(17)8-9-21-19/h4-9,14H,10-13H2,1-3H3
InChIKeyPOVFHZNVRGSFEY-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.73
Rot. Bonds3

About 4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine

4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine (PubChem CID 165433962) has the molecular formula C20H24N6 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine
PubChem CID165433962
Molecular FormulaC20H24N6
Molecular Weight348.45 g/mol
Exact Mass348.21
IUPAC Name4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine
SMILESCc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(N(C)C)n1
InChIInChI=1S/C20H24N6/c1-15-14-18(23-20(22-15)24(2)3)25-10-12-26(13-11-25)19-17-7-5-4-6-16(17)8-9-21-19/h4-9,14H,10-13H2,1-3H3
InChIKeyPOVFHZNVRGSFEY-UHFFFAOYSA-N
XLogP2.73
TPSA48.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylpiperazin-1-yl)isoquinoline
CID 4687476
N,N,4-trimethyl-6-[4-(5,6,7,8-tetrahydroquinazolin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 154883425
4-[4-(6-ethyl-5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 146078208
4-[4-(5-fluoropyrimidin-4-yl)piperazin-1-yl]-N,N,6-trimethylpyrimidin-2-amine
CID 154883377
N,N,4-trimethyl-6-(4-thieno[3,2-d]pyrimidin-4-ylpiperazin-1-yl)pyrimidin-2-amine
CID 155942605
N,N,4-trimethyl-6-[4-(9-methylpurin-6-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155976256
N,N,4-trimethyl-6-[4-[(2-methylpyrazol-3-yl)methyl]piperazin-1-yl]pyrimidin-2-amine
CID 166604642
4-isoquinolin-1-ylthiomorpholine
CID 171328602
N,N,4-trimethyl-6-[4-(6-methyl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)piperazin-1-yl]pyrimidin-2-amine
CID 155981603
N,N,4-trimethyl-6-[4-(oxan-4-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 165431760
(2,6-dimethylpyrimidin-4-yl)-(4-isoquinolin-1-yl-1,4-diazepan-1-yl)methanone
CID 138383185
isoquinolin-1-yl-[4-(4-methyl-6-piperidin-1-ylpyrimidin-2-yl)piperazin-1-yl]methanone
CID 122333323

Frequently Asked Questions

What is the IUPAC name of 4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine?
The IUPAC name of 4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine (CID 165433962) is 4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine.
What is the SMILES notation for 4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine?
The canonical SMILES for 4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine is Cc1cc(N2CCN(c3nccc4ccccc34)CC2)nc(N(C)C)n1.
What is the InChIKey of 4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine?
The InChIKey is POVFHZNVRGSFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N6/c1-15-14-18(23-20(22-15)24(2)3)25-10-12-26(13-11-25)19-17-7-5-4-6-16(17)8-9-21-19/h4-9,14H,10-13H2,1-3H3.
What are the key properties of 4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine?
4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine has a molecular weight of 348.45 g/mol, XLogP of 2.73, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-isoquinolin-1-ylpiperazin-1-yl)-N,N,6-trimethylpyrimidin-2-amine is sourced from PubChem (CID 165433962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).