N-[2-(dimethylamino)pyrimidin-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide

C13H18N6O — CID 71999322

IUPACN-[2-(dimethylamino)pyrimidin-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1ccnc(N(C)C)n1
InChIInChI=1S/C13H18N6O/c1-5-19-10(8-9(2)17-19)12(20)15-11-6-7-14-13(16-11)18(3)4/h6-8H,5H2,1-4H3,(H,14,15,16,20)
InChIKeyRIEMOISEDXVXQW-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.32
Rot. Bonds4

About N-[2-(dimethylamino)pyrimidin-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide

N-[2-(dimethylamino)pyrimidin-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide (PubChem CID 71999322) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is N-[2-(dimethylamino)pyrimidin-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)pyrimidin-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
PubChem CID71999322
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC NameN-[2-(dimethylamino)pyrimidin-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)Nc1ccnc(N(C)C)n1
InChIInChI=1S/C13H18N6O/c1-5-19-10(8-9(2)17-19)12(20)15-11-6-7-14-13(16-11)18(3)4/h6-8H,5H2,1-4H3,(H,14,15,16,20)
InChIKeyRIEMOISEDXVXQW-UHFFFAOYSA-N
XLogP1.32
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)pyrimidin-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The IUPAC name of N-[2-(dimethylamino)pyrimidin-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide (CID 71999322) is N-[2-(dimethylamino)pyrimidin-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)pyrimidin-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)pyrimidin-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)Nc1ccnc(N(C)C)n1.
What is the InChIKey of N-[2-(dimethylamino)pyrimidin-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
The InChIKey is RIEMOISEDXVXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-5-19-10(8-9(2)17-19)12(20)15-11-6-7-14-13(16-11)18(3)4/h6-8H,5H2,1-4H3,(H,14,15,16,20).
What are the key properties of N-[2-(dimethylamino)pyrimidin-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide?
N-[2-(dimethylamino)pyrimidin-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)pyrimidin-4-yl]-2-ethyl-5-methylpyrazole-3-carboxamide is sourced from PubChem (CID 71999322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).