N,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide

C14H20N6O — CID 80842724

IUPACN,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide
SMILESCNc1ncnc(-n2ccc(C(=O)N(C)C)n2)c1C(C)C
InChIInChI=1S/C14H20N6O/c1-9(2)11-12(15-3)16-8-17-13(11)20-7-6-10(18-20)14(21)19(4)5/h6-9H,1-5H3,(H,15,16,17)
InChIKeyXQKXMBDREQZVSJ-UHFFFAOYSA-N
MW288.36 g/mol
LogP1.53
Rot. Bonds4

About N,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide

N,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide (PubChem CID 80842724) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide.

Molecular Properties

Compound NameN,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide
PubChem CID80842724
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide
SMILESCNc1ncnc(-n2ccc(C(=O)N(C)C)n2)c1C(C)C
InChIInChI=1S/C14H20N6O/c1-9(2)11-12(15-3)16-8-17-13(11)20-7-6-10(18-20)14(21)19(4)5/h6-9H,1-5H3,(H,15,16,17)
InChIKeyXQKXMBDREQZVSJ-UHFFFAOYSA-N
XLogP1.53
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-[6-(methylamino)-5-propylpyrimidin-4-yl]pyrazole-3-carboxamide
CID 80843200
1-(6-chloro-5-propan-2-ylpyrimidin-4-yl)-N-methylpyrazole-3-carboxamide
CID 64781189
1-[2,5-dimethyl-6-(methylamino)pyrimidin-4-yl]-N,N-dimethylpyrazole-3-carboxamide
CID 80868258
1-(7-aminoquinazolin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 65336223
[5-propan-2-yl-6-(3-propan-2-ylpyrazol-1-yl)pyrimidin-4-yl]hydrazine
CID 80900555
1-[4-[(1S)-1-aminoethyl]phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64780391
2-[3-(dimethylcarbamoyl)pyrazol-1-yl]propanoic acid
CID 19623443
1-(3-amino-5-cyano-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 103469399
1-(5-chloro-3-fluoro-2-pyridinyl)-N,N-dimethylpyrazole-3-carboxamide
CID 79727906
1-(5-bromo-2-chloropyrimidin-4-yl)-N,N-dimethylpyrazole-3-carboxamide
CID 79072535
1-[2-(1-hydroxyethyl)phenyl]-N,N-dimethylpyrazole-3-carboxamide
CID 64781358
N,N-dimethyl-1-[5-(methylaminomethyl)imidazo[2,1-b][1,3]thiazol-6-yl]pyrazole-3-carboxamide
CID 64782689

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide?
The IUPAC name of N,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide (CID 80842724) is N,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide.
What is the SMILES notation for N,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide?
The canonical SMILES for N,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide is CNc1ncnc(-n2ccc(C(=O)N(C)C)n2)c1C(C)C.
What is the InChIKey of N,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide?
The InChIKey is XQKXMBDREQZVSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N6O/c1-9(2)11-12(15-3)16-8-17-13(11)20-7-6-10(18-20)14(21)19(4)5/h6-9H,1-5H3,(H,15,16,17).
What are the key properties of N,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide?
N,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide has a molecular weight of 288.36 g/mol, XLogP of 1.53, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[6-(methylamino)-5-propan-2-ylpyrimidin-4-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 80842724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).