1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide

C17H24N6O2 — CID 122319110

IUPAC1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)c2c(C)nn(C)c2C)n1
InChIInChI=1S/C17H24N6O2/c1-11-9-15(23-5-7-25-8-6-23)20-14(19-11)10-18-17(24)16-12(2)21-22(4)13(16)3/h9H,5-8,10H2,1-4H3,(H,18,24)
InChIKeyCQDUOQCTAPEJRE-UHFFFAOYSA-N
MW344.42 g/mol
LogP0.90
Rot. Bonds4

About 1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide

1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide (PubChem CID 122319110) has the molecular formula C17H24N6O2 and a molecular weight of 344.42 g/mol. Its IUPAC name is 1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide
PubChem CID122319110
Molecular FormulaC17H24N6O2
Molecular Weight344.42 g/mol
Exact Mass344.20
IUPAC Name1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide
SMILESCc1cc(N2CCOCC2)nc(CNC(=O)c2c(C)nn(C)c2C)n1
InChIInChI=1S/C17H24N6O2/c1-11-9-15(23-5-7-25-8-6-23)20-14(19-11)10-18-17(24)16-12(2)21-22(4)13(16)3/h9H,5-8,10H2,1-4H3,(H,18,24)
InChIKeyCQDUOQCTAPEJRE-UHFFFAOYSA-N
XLogP0.90
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrimidine-2-carboxamide
CID 91966875
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966835
4-acetyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 122319165
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazine-2-carboxamide
CID 72718138
2,4-dimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966839
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]cyclopropanecarboxamide
CID 71807461
5-chloro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]thiophene-2-carboxamide
CID 122319076
2-fluoro-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966848
3,4-dimethoxy-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]benzamide
CID 91966844
2-cyclopentyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]acetamide
CID 122319033
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]-1,3-benzothiazole-2-carboxamide
CID 122319061
N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]oxolane-2-carboxamide
CID 121137175

Frequently Asked Questions

What is the IUPAC name of 1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide?
The IUPAC name of 1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide (CID 122319110) is 1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide?
The canonical SMILES for 1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide is Cc1cc(N2CCOCC2)nc(CNC(=O)c2c(C)nn(C)c2C)n1.
What is the InChIKey of 1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide?
The InChIKey is CQDUOQCTAPEJRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N6O2/c1-11-9-15(23-5-7-25-8-6-23)20-14(19-11)10-18-17(24)16-12(2)21-22(4)13(16)3/h9H,5-8,10H2,1-4H3,(H,18,24).
What are the key properties of 1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide?
1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 0.90, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,5-trimethyl-N-[(4-methyl-6-morpholin-4-ylpyrimidin-2-yl)methyl]pyrazole-4-carboxamide is sourced from PubChem (CID 122319110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).