1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide

C13H18N6O — CID 80988908

IUPAC1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide
SMILESCCc1nc(NC)c(C)c(-n2ccc(C(=O)NC)n2)n1
InChIInChI=1S/C13H18N6O/c1-5-10-16-11(14-3)8(2)12(17-10)19-7-6-9(18-19)13(20)15-4/h6-7H,5H2,1-4H3,(H,15,20)(H,14,16,17)
InChIKeyOZLCYJXEOCHLPY-UHFFFAOYSA-N
MW274.33 g/mol
LogP0.93
Rot. Bonds4

About 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide

1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide (PubChem CID 80988908) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide
PubChem CID80988908
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide
SMILESCCc1nc(NC)c(C)c(-n2ccc(C(=O)NC)n2)n1
InChIInChI=1S/C13H18N6O/c1-5-10-16-11(14-3)8(2)12(17-10)19-7-6-9(18-19)13(20)15-4/h6-7H,5H2,1-4H3,(H,15,20)(H,14,16,17)
InChIKeyOZLCYJXEOCHLPY-UHFFFAOYSA-N
XLogP0.93
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide
CID 80868258
N-methyl-1-[5-methyl-6-(propylamino)pyrimidin-4-yl]pyrazole-3-carboxamide
CID 80867683
1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 81001490
N-methyl-1-[6-(methylamino)-2-propylpyrimidin-4-yl]pyrazole-3-carboxamide
CID 80950267
1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]pyrazole-4-carboxamide
CID 80989030
N,5-dimethyl-2-propyl-6-[3-(trifluoromethyl)pyrazol-1-yl]pyrimidin-4-amine
CID 80992808
1-(2-chloro-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 79073921
1-(4-cyano-5,6-diethylpyridazin-3-yl)-N-methylpyrazole-3-carboxamide
CID 80506190
1-(3-amino-6-chloro-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 113317014
1-(6-amino-5-propylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 80868849
1-(6-fluoro-2-pyridinyl)-N-methylpyrazole-3-carboxamide
CID 64780996
2-[[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-methylamino]acetamide
CID 80993390

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide?
The IUPAC name of 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide (CID 80988908) is 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide?
The canonical SMILES for 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide is CCc1nc(NC)c(C)c(-n2ccc(C(=O)NC)n2)n1.
What is the InChIKey of 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide?
The InChIKey is OZLCYJXEOCHLPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-5-10-16-11(14-3)8(2)12(17-10)19-7-6-9(18-19)13(20)15-4/h6-7H,5H2,1-4H3,(H,15,20)(H,14,16,17).
What are the key properties of 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide?
1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide is sourced from PubChem (CID 80988908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).