2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

C14H16BrN3OS — CID 106472680

IUPAC2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Br)c(C)s2)nc2c1COCC2
InChIInChI=1S/C14H16BrN3OS/c1-3-16-13-9-7-19-5-4-11(9)17-14(18-13)12-6-10(15)8(2)20-12/h6H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyFKZCMUZYIGEVKY-UHFFFAOYSA-N
MW354.27 g/mol
LogP3.78
Rot. Bonds3

About 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine

2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472680) has the molecular formula C14H16BrN3OS and a molecular weight of 354.27 g/mol. Its IUPAC name is 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472680
Molecular FormulaC14H16BrN3OS
Molecular Weight354.27 g/mol
Exact Mass353.02
IUPAC Name2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Br)c(C)s2)nc2c1COCC2
InChIInChI=1S/C14H16BrN3OS/c1-3-16-13-9-7-19-5-4-11(9)17-14(18-13)12-6-10(15)8(2)20-12/h6H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyFKZCMUZYIGEVKY-UHFFFAOYSA-N
XLogP3.78
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472680) is 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCNc1nc(-c2cc(Br)c(C)s2)nc2c1COCC2.
What is the InChIKey of 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is FKZCMUZYIGEVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3OS/c1-3-16-13-9-7-19-5-4-11(9)17-14(18-13)12-6-10(15)8(2)20-12/h6H,3-5,7H2,1-2H3,(H,16,17,18).
What are the key properties of 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 354.27 g/mol, XLogP of 3.78, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).