2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione

C16H16N4O2 — CID 133405428

IUPAC2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione
SMILESCc1cnc(N(C)CCN2C(=O)c3ccccc3C2=O)nc1
InChIInChI=1S/C16H16N4O2/c1-11-9-17-16(18-10-11)19(2)7-8-20-14(21)12-5-3-4-6-13(12)15(20)22/h3-6,9-10H,7-8H2,1-2H3
InChIKeyWXENZSRBRDPRNC-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.52
Rot. Bonds4

About 2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione

2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione (PubChem CID 133405428) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione
PubChem CID133405428
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione
SMILESCc1cnc(N(C)CCN2C(=O)c3ccccc3C2=O)nc1
InChIInChI=1S/C16H16N4O2/c1-11-9-17-16(18-10-11)19(2)7-8-20-14(21)12-5-3-4-6-13(12)15(20)22/h3-6,9-10H,7-8H2,1-2H3
InChIKeyWXENZSRBRDPRNC-UHFFFAOYSA-N
XLogP1.52
TPSA66.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

CID 10999049
CID 10999049
CID 896524
CID 896524
CID 660266
CID 660266
CID 2368501
CID 2368501
CID 903798
CID 903798
CID 2554447
CID 2554447
CID 2812700
CID 2812700
CID 2878113
CID 2878113
CID 657790
CID 657790
CID 10406539
CID 10406539
CID 11785613
CID 11785613
CID 15950504
CID 15950504

Frequently Asked Questions

What is the IUPAC name of 2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione (CID 133405428) is 2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione is Cc1cnc(N(C)CCN2C(=O)c3ccccc3C2=O)nc1.
What is the InChIKey of 2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione?
The InChIKey is WXENZSRBRDPRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-11-9-17-16(18-10-11)19(2)7-8-20-14(21)12-5-3-4-6-13(12)15(20)22/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione?
2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione has a molecular weight of 296.33 g/mol, XLogP of 1.52, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[methyl-(5-methylpyrimidin-2-yl)amino]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 133405428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).