4-(Isoindolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

C17H22N6 — CID 24798596

IUPAC4-(1,3-dihydroisoindol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(CC1)C2=CC(=NC(=N2)N)N3CC4=CC=CC=C4C3
InChIInChI=1S/C17H22N6/c1-21-6-8-22(9-7-21)15-10-16(20-17(18)19-15)23-11-13-4-2-3-5-14(13)12-23/h2-5,10H,6-9,11-12H2,1H3,(H2,18,19,20)
InChIKeyINLNXPOQTXWVNV-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.60
Rot. Bonds2

About 4-(Isoindolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine

4-(Isoindolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (PubChem CID 24798596) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 4-(1,3-dihydroisoindol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(Isoindolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
PubChem CID24798596
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name4-(1,3-dihydroisoindol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
SMILESCN1CCN(CC1)C2=CC(=NC(=N2)N)N3CC4=CC=CC=C4C3
InChIInChI=1S/C17H22N6/c1-21-6-8-22(9-7-21)15-10-16(20-17(18)19-15)23-11-13-4-2-3-5-14(13)12-23/h2-5,10H,6-9,11-12H2,1H3,(H2,18,19,20)
InChIKeyINLNXPOQTXWVNV-UHFFFAOYSA-N
XLogP1.60
TPSA61.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity383

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 879133
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CID 15604176
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CID 15604290
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CID 16061844
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CID 16061961
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CID 24797248
CID 24797248

Frequently Asked Questions

What is the IUPAC name of 4-(Isoindolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(Isoindolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine (CID 24798596) is 4-(1,3-dihydroisoindol-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(Isoindolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(Isoindolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is CN1CCN(CC1)C2=CC(=NC(=N2)N)N3CC4=CC=CC=C4C3.
What is the InChIKey of 4-(Isoindolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
The InChIKey is INLNXPOQTXWVNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-21-6-8-22(9-7-21)15-10-16(20-17(18)19-15)23-11-13-4-2-3-5-14(13)12-23/h2-5,10H,6-9,11-12H2,1H3,(H2,18,19,20).
What are the key properties of 4-(Isoindolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine?
4-(Isoindolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine has a molecular weight of 310.40 g/mol, XLogP of 1.60, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(Isoindolin-2-yl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 24798596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).