7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine

C12H12BrN5S — CID 138031417

IUPAC7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine
SMILESCC(Nc1ncc2scc(Br)c2n1)c1ccnn1C
InChIInChI=1S/C12H12BrN5S/c1-7(9-3-4-15-18(9)2)16-12-14-5-10-11(17-12)8(13)6-19-10/h3-7H,1-2H3,(H,14,16,17)
InChIKeyNHLQZDPEYFGVRZ-UHFFFAOYSA-N
MW338.23 g/mol
LogP3.36
Rot. Bonds3

About 7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine

7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine (PubChem CID 138031417) has the molecular formula C12H12BrN5S and a molecular weight of 338.23 g/mol. Its IUPAC name is 7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine
PubChem CID138031417
Molecular FormulaC12H12BrN5S
Molecular Weight338.23 g/mol
Exact Mass337.00
IUPAC Name7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine
SMILESCC(Nc1ncc2scc(Br)c2n1)c1ccnn1C
InChIInChI=1S/C12H12BrN5S/c1-7(9-3-4-15-18(9)2)16-12-14-5-10-11(17-12)8(13)6-19-10/h3-7H,1-2H3,(H,14,16,17)
InChIKeyNHLQZDPEYFGVRZ-UHFFFAOYSA-N
XLogP3.36
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.23
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine?
The IUPAC name of 7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine (CID 138031417) is 7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine is CC(Nc1ncc2scc(Br)c2n1)c1ccnn1C.
What is the InChIKey of 7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine?
The InChIKey is NHLQZDPEYFGVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN5S/c1-7(9-3-4-15-18(9)2)16-12-14-5-10-11(17-12)8(13)6-19-10/h3-7H,1-2H3,(H,14,16,17).
What are the key properties of 7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine?
7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine has a molecular weight of 338.23 g/mol, XLogP of 3.36, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-bromo-N-[1-(2-methylpyrazol-3-yl)ethyl]thieno[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 138031417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).