N-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide

C15H22N6O — CID 25210254

IUPACN-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCCN(CC)c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C15H22N6O/c1-6-20(7-2)14-9-13(16-12(5)22)17-15(18-14)21-11(4)8-10(3)19-21/h8-9H,6-7H2,1-5H3,(H,16,17,18,22)
InChIKeyWGINQISWUSBVEU-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.08
Rot. Bonds5

About N-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide

N-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide (PubChem CID 25210254) has the molecular formula C15H22N6O and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
PubChem CID25210254
Molecular FormulaC15H22N6O
Molecular Weight302.38 g/mol
Exact Mass302.19
IUPAC NameN-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
SMILESCCN(CC)c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1
InChIInChI=1S/C15H22N6O/c1-6-20(7-2)14-9-13(16-12(5)22)17-15(18-14)21-11(4)8-10(3)19-21/h8-9H,6-7H2,1-5H3,(H,16,17,18,22)
InChIKeyWGINQISWUSBVEU-UHFFFAOYSA-N
XLogP2.08
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The IUPAC name of N-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide (CID 25210254) is N-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide is CCN(CC)c1cc(NC(C)=O)nc(-n2nc(C)cc2C)n1.
What is the InChIKey of N-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
The InChIKey is WGINQISWUSBVEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6O/c1-6-20(7-2)14-9-13(16-12(5)22)17-15(18-14)21-11(4)8-10(3)19-21/h8-9H,6-7H2,1-5H3,(H,16,17,18,22).
What are the key properties of N-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide?
N-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide has a molecular weight of 302.38 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25210254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).