N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide

C21H24N6O2 — CID 122356821

IUPACN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)c1cc(-c2ccccc2)nn1C
InChIInChI=1S/C21H24N6O2/c1-14-19(15(2)23-21(22-14)27-9-11-29-12-10-27)24-20(28)18-13-17(25-26(18)3)16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3,(H,24,28)
InChIKeyGEKCPVWFUWBELS-UHFFFAOYSA-N
MW392.46 g/mol
LogP2.58
Rot. Bonds4

About N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide

N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide (PubChem CID 122356821) has the molecular formula C21H24N6O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
PubChem CID122356821
Molecular FormulaC21H24N6O2
Molecular Weight392.46 g/mol
Exact Mass392.20
IUPAC NameN-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide
SMILESCc1nc(N2CCOCC2)nc(C)c1NC(=O)c1cc(-c2ccccc2)nn1C
InChIInChI=1S/C21H24N6O2/c1-14-19(15(2)23-21(22-14)27-9-11-29-12-10-27)24-20(28)18-13-17(25-26(18)3)16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3,(H,24,28)
InChIKeyGEKCPVWFUWBELS-UHFFFAOYSA-N
XLogP2.58
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide?
The IUPAC name of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide (CID 122356821) is N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide.
What is the SMILES notation for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide?
The canonical SMILES for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide is Cc1nc(N2CCOCC2)nc(C)c1NC(=O)c1cc(-c2ccccc2)nn1C.
What is the InChIKey of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide?
The InChIKey is GEKCPVWFUWBELS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O2/c1-14-19(15(2)23-21(22-14)27-9-11-29-12-10-27)24-20(28)18-13-17(25-26(18)3)16-7-5-4-6-8-16/h4-8,13H,9-12H2,1-3H3,(H,24,28).
What are the key properties of N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide?
N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)-1-methyl-3-phenylpyrazole-5-carboxamide is sourced from PubChem (CID 122356821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).