5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

C24H28N8O — CID 121357741

IUPAC5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCN4CCOCC4)n3)c2)cn1
InChIInChI=1S/C24H28N8O/c1-30-16-20(13-27-30)18-4-3-5-19(12-18)23-26-15-22(21-14-28-31(2)17-21)24(29-23)25-6-7-32-8-10-33-11-9-32/h3-5,12-17H,6-11H2,1-2H3,(H,25,26,29)
InChIKeyFYLOTDUPPSAYRS-UHFFFAOYSA-N
MW444.54 g/mol
LogP2.69
Rot. Bonds7

About 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine

5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (PubChem CID 121357741) has the molecular formula C24H28N8O and a molecular weight of 444.54 g/mol. Its IUPAC name is 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
PubChem CID121357741
Molecular FormulaC24H28N8O
Molecular Weight444.54 g/mol
Exact Mass444.24
IUPAC Name5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine
SMILESCn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCN4CCOCC4)n3)c2)cn1
InChIInChI=1S/C24H28N8O/c1-30-16-20(13-27-30)18-4-3-5-19(12-18)23-26-15-22(21-14-28-31(2)17-21)24(29-23)25-6-7-32-8-10-33-11-9-32/h3-5,12-17H,6-11H2,1-2H3,(H,25,26,29)
InChIKeyFYLOTDUPPSAYRS-UHFFFAOYSA-N
XLogP2.69
TPSA85.92 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.54
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The IUPAC name of 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine (CID 121357741) is 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is Cn1cc(-c2cccc(-c3ncc(-c4cnn(C)c4)c(NCCN4CCOCC4)n3)c2)cn1.
What is the InChIKey of 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
The InChIKey is FYLOTDUPPSAYRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N8O/c1-30-16-20(13-27-30)18-4-3-5-19(12-18)23-26-15-22(21-14-28-31(2)17-21)24(29-23)25-6-7-32-8-10-33-11-9-32/h3-5,12-17H,6-11H2,1-2H3,(H,25,26,29).
What are the key properties of 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine?
5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine has a molecular weight of 444.54 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrazol-4-yl)-2-[3-(1-methylpyrazol-4-yl)phenyl]-N-(2-morpholin-4-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 121357741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).