N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine

C16H21N5OS — CID 133485780

IUPACN-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCn1nc(C)c(Nc2nc(C)nc3scc(C)c23)c1C
InChIInChI=1S/C16H21N5OS/c1-9-8-23-16-13(9)15(17-12(4)18-16)19-14-10(2)20-21(11(14)3)6-7-22-5/h8H,6-7H2,1-5H3,(H,17,18,19)
InChIKeyVJXCWQIQSAKBDV-UHFFFAOYSA-N
MW331.45 g/mol
LogP3.51
Rot. Bonds5

About N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine

N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 133485780) has the molecular formula C16H21N5OS and a molecular weight of 331.45 g/mol. Its IUPAC name is N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID133485780
Molecular FormulaC16H21N5OS
Molecular Weight331.45 g/mol
Exact Mass331.15
IUPAC NameN-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCOCCn1nc(C)c(Nc2nc(C)nc3scc(C)c23)c1C
InChIInChI=1S/C16H21N5OS/c1-9-8-23-16-13(9)15(17-12(4)18-16)19-14-10(2)20-21(11(14)3)6-7-22-5/h8H,6-7H2,1-5H3,(H,17,18,19)
InChIKeyVJXCWQIQSAKBDV-UHFFFAOYSA-N
XLogP3.51
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.45
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 133485780) is N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine is COCCn1nc(C)c(Nc2nc(C)nc3scc(C)c23)c1C.
What is the InChIKey of N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is VJXCWQIQSAKBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5OS/c1-9-8-23-16-13(9)15(17-12(4)18-16)19-14-10(2)20-21(11(14)3)6-7-22-5/h8H,6-7H2,1-5H3,(H,17,18,19).
What are the key properties of N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine?
N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 331.45 g/mol, XLogP of 3.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]-2,5-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133485780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).