5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine

C16H16BrN5OS — CID 118346985

IUPAC5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine
SMILESCc1cc(N)ncc1-c1nc(N2CCOCC2)nc2c(Br)csc12
InChIInChI=1S/C16H16BrN5OS/c1-9-6-12(18)19-7-10(9)13-15-14(11(17)8-24-15)21-16(20-13)22-2-4-23-5-3-22/h6-8H,2-5H2,1H3,(H2,18,19)
InChIKeyITXGBXVBQLMCKH-UHFFFAOYSA-N
MW406.31 g/mol
LogP3.24
Rot. Bonds2

About 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine

5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine (PubChem CID 118346985) has the molecular formula C16H16BrN5OS and a molecular weight of 406.31 g/mol. Its IUPAC name is 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine.

Molecular Properties

Compound Name5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine
PubChem CID118346985
Molecular FormulaC16H16BrN5OS
Molecular Weight406.31 g/mol
Exact Mass405.03
IUPAC Name5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine
SMILESCc1cc(N)ncc1-c1nc(N2CCOCC2)nc2c(Br)csc12
InChIInChI=1S/C16H16BrN5OS/c1-9-6-12(18)19-7-10(9)13-15-14(11(17)8-24-15)21-16(20-13)22-2-4-23-5-3-22/h6-8H,2-5H2,1H3,(H2,18,19)
InChIKeyITXGBXVBQLMCKH-UHFFFAOYSA-N
XLogP3.24
TPSA77.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.31
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine?
The IUPAC name of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine (CID 118346985) is 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine.
What is the SMILES notation for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine?
The canonical SMILES for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine is Cc1cc(N)ncc1-c1nc(N2CCOCC2)nc2c(Br)csc12.
What is the InChIKey of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine?
The InChIKey is ITXGBXVBQLMCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrN5OS/c1-9-6-12(18)19-7-10(9)13-15-14(11(17)8-24-15)21-16(20-13)22-2-4-23-5-3-22/h6-8H,2-5H2,1H3,(H2,18,19).
What are the key properties of 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine?
5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine has a molecular weight of 406.31 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(7-bromo-2-morpholin-4-ylthieno[3,2-d]pyrimidin-4-yl)-4-methylpyridin-2-amine is sourced from PubChem (CID 118346985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).