1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide

C13H18N6O — CID 80868258

IUPAC1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCNc1nc(C)nc(-n2ccc(C(=O)N(C)C)n2)c1C
InChIInChI=1S/C13H18N6O/c1-8-11(14-3)15-9(2)16-12(8)19-7-6-10(17-19)13(20)18(4)5/h6-7H,1-5H3,(H,14,15,16)
InChIKeyXQJSOIXKKGULTL-UHFFFAOYSA-N
MW274.33 g/mol
LogP1.02
Rot. Bonds3

About 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide

1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide (PubChem CID 80868258) has the molecular formula C13H18N6O and a molecular weight of 274.33 g/mol. Its IUPAC name is 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide.

Molecular Properties

Compound Name1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide
PubChem CID80868258
Molecular FormulaC13H18N6O
Molecular Weight274.33 g/mol
Exact Mass274.15
IUPAC Name1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide
SMILESCNc1nc(C)nc(-n2ccc(C(=O)N(C)C)n2)c1C
InChIInChI=1S/C13H18N6O/c1-8-11(14-3)15-9(2)16-12(8)19-7-6-10(17-19)13(20)18(4)5/h6-7H,1-5H3,(H,14,15,16)
InChIKeyXQJSOIXKKGULTL-UHFFFAOYSA-N
XLogP1.02
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.33
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-N-methylpyrazole-3-carboxamide
CID 80988908
N,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide
CID 80842724
N,N-dimethyl-1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrazole-3-carboxamide
CID 80843200
N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
CID 64782689
1-(5-amino-3-bromo-4-methyl-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 104507196
1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 79072535
1-[5-(ethylaminomethyl)-3-methyl-2-pyridinyl]-N,N-dimethylpyrazole-3-carboxamide
CID 80636556
1-(4-acetylphenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64781535
1-(5,6-diamino-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 79827052
2,5-dimethyl-6-(3-methylpyrazol-1-yl)-N-propylpyrimidin-4-amine
CID 80857923
1-(2-cyclopropyl-6-hydrazinyl-5-methylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 81001490
1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 103469399

Frequently Asked Questions

What is the IUPAC name of 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide?
The IUPAC name of 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide (CID 80868258) is 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide.
What is the SMILES notation for 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide?
The canonical SMILES for 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide is CNc1nc(C)nc(-n2ccc(C(=O)N(C)C)n2)c1C.
What is the InChIKey of 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide?
The InChIKey is XQJSOIXKKGULTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O/c1-8-11(14-3)15-9(2)16-12(8)19-7-6-10(17-19)13(20)18(4)5/h6-7H,1-5H3,(H,14,15,16).
What are the key properties of 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide?
1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide has a molecular weight of 274.33 g/mol, XLogP of 1.02, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide is sourced from PubChem (CID 80868258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).