2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine

C13H15Br2N3S — CID 102843910

IUPAC2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Br)c(Br)s2)nc(CC)c1C
InChIInChI=1S/C13H15Br2N3S/c1-4-9-7(3)12(16-5-2)18-13(17-9)10-6-8(14)11(15)19-10/h6H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyDOFSRWPSWYKXLV-UHFFFAOYSA-N
MW405.16 g/mol
LogP5.03
Rot. Bonds4

About 2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine

2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine (PubChem CID 102843910) has the molecular formula C13H15Br2N3S and a molecular weight of 405.16 g/mol. Its IUPAC name is 2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine
PubChem CID102843910
Molecular FormulaC13H15Br2N3S
Molecular Weight405.16 g/mol
Exact Mass402.94
IUPAC Name2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Br)c(Br)s2)nc(CC)c1C
InChIInChI=1S/C13H15Br2N3S/c1-4-9-7(3)12(16-5-2)18-13(17-9)10-6-8(14)11(15)19-10/h6H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyDOFSRWPSWYKXLV-UHFFFAOYSA-N
XLogP5.03
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.16
LogP ≤ 55.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 102843905
2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 102844007
2-(4-bromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63559863
2-(4,5-dibromothiophen-2-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 102843946
5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 102844115
2-(4,5-dibromothiophen-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 102844049
5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine
CID 102843992
2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472685
2-(3-bromophenyl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63560398
2-(4-bromo-5-methylthiophen-2-yl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 102843919
5-bromo-2-(4,5-dibromothiophen-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 102844042
2-(4-bromo-5-chlorothiophen-2-yl)-N,5-diethyl-6-methylpyrimidin-4-amine
CID 102843763

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine (CID 102843910) is 2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine is CCNc1nc(-c2cc(Br)c(Br)s2)nc(CC)c1C.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine?
The InChIKey is DOFSRWPSWYKXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3S/c1-4-9-7(3)12(16-5-2)18-13(17-9)10-6-8(14)11(15)19-10/h6H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine?
2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine has a molecular weight of 405.16 g/mol, XLogP of 5.03, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine is sourced from PubChem (CID 102843910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).