N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

C16H21N5S — CID 77093229

IUPACN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1cc(C)n2ncc(CN(C)CCc3scnc3C)c2n1
InChIInChI=1S/C16H21N5S/c1-11-7-12(2)21-16(19-11)14(8-18-21)9-20(4)6-5-15-13(3)17-10-22-15/h7-8,10H,5-6,9H2,1-4H3
InChIKeyHVALTVKDQZKOAO-UHFFFAOYSA-N
MW315.45 g/mol
LogP2.79
Rot. Bonds5

About N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine

N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (PubChem CID 77093229) has the molecular formula C16H21N5S and a molecular weight of 315.45 g/mol. Its IUPAC name is N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.

Molecular Properties

Compound NameN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
PubChem CID77093229
Molecular FormulaC16H21N5S
Molecular Weight315.45 g/mol
Exact Mass315.15
IUPAC NameN-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine
SMILESCc1cc(C)n2ncc(CN(C)CCc3scnc3C)c2n1
InChIInChI=1S/C16H21N5S/c1-11-7-12(2)21-16(19-11)14(8-18-21)9-20(4)6-5-15-13(3)17-10-22-15/h7-8,10H,5-6,9H2,1-4H3
InChIKeyHVALTVKDQZKOAO-UHFFFAOYSA-N
XLogP2.79
TPSA46.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.45
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The IUPAC name of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine (CID 77093229) is N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine.
What is the SMILES notation for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The canonical SMILES for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is Cc1cc(C)n2ncc(CN(C)CCc3scnc3C)c2n1.
What is the InChIKey of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
The InChIKey is HVALTVKDQZKOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5S/c1-11-7-12(2)21-16(19-11)14(8-18-21)9-20(4)6-5-15-13(3)17-10-22-15/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine?
N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine has a molecular weight of 315.45 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)methyl]-N-methyl-2-(4-methyl-1,3-thiazol-5-yl)ethanamine is sourced from PubChem (CID 77093229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).