N-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide

C14H14N6O — CID 133277106

IUPACN-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(Nc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C14H14N6O/c1-9(21)20(2)11-5-3-10(4-6-11)18-13-12-7-17-19-14(12)16-8-15-13/h3-8H,1-2H3,(H2,15,16,17,18,19)
InChIKeyYCZSZGJGNOEXMZ-UHFFFAOYSA-N
MW282.31 g/mol
LogP2.08
Rot. Bonds3

About N-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide

N-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide (PubChem CID 133277106) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is N-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide.

Molecular Properties

Compound NameN-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide
PubChem CID133277106
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC NameN-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide
SMILESCC(=O)N(C)c1ccc(Nc2ncnc3[nH]ncc23)cc1
InChIInChI=1S/C14H14N6O/c1-9(21)20(2)11-5-3-10(4-6-11)18-13-12-7-17-19-14(12)16-8-15-13/h3-8H,1-2H3,(H2,15,16,17,18,19)
InChIKeyYCZSZGJGNOEXMZ-UHFFFAOYSA-N
XLogP2.08
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]methyl]acetamide
CID 133316457
ethyl 4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)benzoate
CID 875354
N-(4-nitrophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 91407901
N,N-dimethyl-2-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)pyrazol-1-yl]acetamide
CID 133276027
N-naphthalen-2-yl-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 711496
N-(3-pyrrol-1-ylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 91211026
4-methyl-N-(1H-pyrazolo[5,4-d]pyrimidin-4-yl)benzamide
CID 142065920
4-N-(1H-indazol-5-yl)-6-N,6-N-dimethylquinazoline-4,6-diamine
CID 23366736
N-(2,4-difluorophenyl)-1H-pyrazolo[5,4-d]pyrimidin-4-amine
CID 42226838
N-[4-[1-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)ethyl]phenyl]propanamide
CID 102554259
N-[4-[[4-(cyclohexylamino)-5-fluoropyrimidin-2-yl]amino]phenyl]-N-methylacetamide
CID 11660432
N-methyl-N-(4-methylsulfanylphenyl)acetamide
CID 12915123

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide?
The IUPAC name of N-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide (CID 133277106) is N-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide.
What is the SMILES notation for N-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide?
The canonical SMILES for N-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide is CC(=O)N(C)c1ccc(Nc2ncnc3[nH]ncc23)cc1.
What is the InChIKey of N-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide?
The InChIKey is YCZSZGJGNOEXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-9(21)20(2)11-5-3-10(4-6-11)18-13-12-7-17-19-14(12)16-8-15-13/h3-8H,1-2H3,(H2,15,16,17,18,19).
What are the key properties of N-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide?
N-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide has a molecular weight of 282.31 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[4-(1H-pyrazolo[5,4-d]pyrimidin-4-ylamino)phenyl]acetamide is sourced from PubChem (CID 133277106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).