6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

C19H15BrN4S — CID 59278033

IUPAC6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(-c2nc(N)c3cc(Cc4ncccc4Br)sc3n2)c1
InChIInChI=1S/C19H15BrN4S/c1-11-4-2-5-12(8-11)18-23-17(21)14-9-13(25-19(14)24-18)10-16-15(20)6-3-7-22-16/h2-9H,10H2,1H3,(H2,21,23,24)
InChIKeyRGBWIRLEOGZZDR-UHFFFAOYSA-N
MW411.33 g/mol
LogP5.00
Rot. Bonds3

About 6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine

6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 59278033) has the molecular formula C19H15BrN4S and a molecular weight of 411.33 g/mol. Its IUPAC name is 6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID59278033
Molecular FormulaC19H15BrN4S
Molecular Weight411.33 g/mol
Exact Mass410.02
IUPAC Name6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(-c2nc(N)c3cc(Cc4ncccc4Br)sc3n2)c1
InChIInChI=1S/C19H15BrN4S/c1-11-4-2-5-12(8-11)18-23-17(21)14-9-13(25-19(14)24-18)10-16-15(20)6-3-7-22-16/h2-9H,10H2,1H3,(H2,21,23,24)
InChIKeyRGBWIRLEOGZZDR-UHFFFAOYSA-N
XLogP5.00
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.33
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine (CID 59278033) is 6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cccc(-c2nc(N)c3cc(Cc4ncccc4Br)sc3n2)c1.
What is the InChIKey of 6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is RGBWIRLEOGZZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4S/c1-11-4-2-5-12(8-11)18-23-17(21)14-9-13(25-19(14)24-18)10-16-15(20)6-3-7-22-16/h2-9H,10H2,1H3,(H2,21,23,24).
What are the key properties of 6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine?
6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 411.33 g/mol, XLogP of 5.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3-bromo-2-pyridinyl)methyl]-2-(3-methylphenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 59278033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).