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

C13H13Br2N3OS — CID 106472685

IUPAC2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Br)c(Br)s2)nc2c1COCC2
InChIInChI=1S/C13H13Br2N3OS/c1-2-16-12-7-6-19-4-3-9(7)17-13(18-12)10-5-8(14)11(15)20-10/h5H,2-4,6H2,1H3,(H,16,17,18)
InChIKeyIVLGOTWGCFXVEF-UHFFFAOYSA-N
MW419.14 g/mol
LogP4.23
Rot. Bonds3

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

2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (PubChem CID 106472685) has the molecular formula C13H13Br2N3OS and a molecular weight of 419.14 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
PubChem CID106472685
Molecular FormulaC13H13Br2N3OS
Molecular Weight419.14 g/mol
Exact Mass416.91
IUPAC Name2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Br)c(Br)s2)nc2c1COCC2
InChIInChI=1S/C13H13Br2N3OS/c1-2-16-12-7-6-19-4-3-9(7)17-13(18-12)10-5-8(14)11(15)20-10/h5H,2-4,6H2,1H3,(H,16,17,18)
InChIKeyIVLGOTWGCFXVEF-UHFFFAOYSA-N
XLogP4.23
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.14
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-(4,5-dibromothiophen-2-yl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472651
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472680
2-(3-bromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472733
2-(3,5-dibromo-2-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472412
2-(5-bromo-3-pyridinyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472372
[2-(4-bromo-5-chlorothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473662
2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 102843910
2-(4,5-dibromothiophen-2-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 102843946
2-(3,4-dimethylphenyl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472702
2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 102844007
N,2-diethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472434
[2-(5-bromothiophen-2-yl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl]hydrazine
CID 106473597

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine (CID 106472685) is 2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is CCNc1nc(-c2cc(Br)c(Br)s2)nc2c1COCC2.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
The InChIKey is IVLGOTWGCFXVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13Br2N3OS/c1-2-16-12-7-6-19-4-3-9(7)17-13(18-12)10-5-8(14)11(15)20-10/h5H,2-4,6H2,1H3,(H,16,17,18).
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine?
2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine has a molecular weight of 419.14 g/mol, XLogP of 4.23, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106472685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).