N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine

C16H21N5O — CID 56885678

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)Cc2c(C)noc2C)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H21N5O/c1-9-7-15(21-16(17-9)10(2)11(3)18-21)20(6)8-14-12(4)19-22-13(14)5/h7H,8H2,1-6H3
InChIKeyUTEBBCIFJVTPME-UHFFFAOYSA-N
MW299.38 g/mol
LogP2.90
Rot. Bonds3

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 56885678) has the molecular formula C16H21N5O and a molecular weight of 299.38 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID56885678
Molecular FormulaC16H21N5O
Molecular Weight299.38 g/mol
Exact Mass299.17
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESCc1cc(N(C)Cc2c(C)noc2C)n2nc(C)c(C)c2n1
InChIInChI=1S/C16H21N5O/c1-9-7-15(21-16(17-9)10(2)11(3)18-21)20(6)8-14-12(4)19-22-13(14)5/h7H,8H2,1-6H3
InChIKeyUTEBBCIFJVTPME-UHFFFAOYSA-N
XLogP2.90
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine (CID 56885678) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine is Cc1cc(N(C)Cc2c(C)noc2C)n2nc(C)c(C)c2n1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is UTEBBCIFJVTPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O/c1-9-7-15(21-16(17-9)10(2)11(3)18-21)20(6)8-14-12(4)19-22-13(14)5/h7H,8H2,1-6H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 299.38 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-N,2,3,5-tetramethylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 56885678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).