N-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]acetamide

C12H17N5O — CID 70778254

IUPACN-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(C)nc2cc(C)nn12
InChIInChI=1S/C12H17N5O/c1-8-6-11(14-5-4-13-10(3)18)17-12(15-8)7-9(2)16-17/h6-7,14H,4-5H2,1-3H3,(H,13,18)
InChIKeyQSHPWGMDCFRWPU-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.89
Rot. Bonds4

About N-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]acetamide

N-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]acetamide (PubChem CID 70778254) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]acetamide
PubChem CID70778254
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]acetamide
SMILESCC(=O)NCCNc1cc(C)nc2cc(C)nn12
InChIInChI=1S/C12H17N5O/c1-8-6-11(14-5-4-13-10(3)18)17-12(15-8)7-9(2)16-17/h6-7,14H,4-5H2,1-3H3,(H,13,18)
InChIKeyQSHPWGMDCFRWPU-UHFFFAOYSA-N
XLogP0.89
TPSA71.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(1,2,4)Triazolo(1,5-a)pyrimidin-7-amine, N-ethyl-5-methyl-
CID 40136
N-cycloheptyl-2-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)acetamide
CID 3242709
N-[6-(diethylamino)-2-(3,5-dimethylpyrazol-1-yl)pyrimidin-4-yl]acetamide
CID 25210254
N-[7-(dimethylamino)-2-methylpyrazolo[1,5-a]pyrimidin-5-yl]prop-2-enamide
CID 132317663
N-tert-butyl-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 2088460
2-(5,7-dimethyl[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)-N-hexylacetamide
CID 3238572
Ethyl 4-(2,5-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazine-1-carboxylate
CID 5309655
2,5-Dimethylpyrazolo[1,5-a]pyrimidin-7-amine
CID 2768096
Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N(sup 4),7-dimethyl-, hydrochloride, hydrate (2:2:1)
CID 3054722
Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, N,N',7-trimethyl-
CID 3054724
Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, 7-methyl-N(sup 4)-2-propenyl-, hydrochloride, hydrate (1:1:1)
CID 3054727
Pyrazolo(1,5-a)-1,3,5-triazine-2,4-diamine, 7-methyl-N(sup 4)-propyl-, hydrochloride
CID 3054730

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]acetamide?
The IUPAC name of N-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]acetamide (CID 70778254) is N-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]acetamide?
The canonical SMILES for N-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]acetamide is CC(=O)NCCNc1cc(C)nc2cc(C)nn12.
What is the InChIKey of N-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]acetamide?
The InChIKey is QSHPWGMDCFRWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-8-6-11(14-5-4-13-10(3)18)17-12(15-8)7-9(2)16-17/h6-7,14H,4-5H2,1-3H3,(H,13,18).
What are the key properties of N-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]acetamide?
N-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.89, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,5-dimethylpyrazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]acetamide is sourced from PubChem (CID 70778254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).