5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine

C14H16Br3N3S — CID 102844115

IUPAC5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Br)c(Br)s2)nc(CC(C)C)c1Br
InChIInChI=1S/C14H16Br3N3S/c1-4-18-14-11(16)9(5-7(2)3)19-13(20-14)10-6-8(15)12(17)21-10/h6-7H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyDWRICDIZGCKFII-UHFFFAOYSA-N
MW498.08 g/mol
LogP6.12
Rot. Bonds5

About 5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine

5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine (PubChem CID 102844115) has the molecular formula C14H16Br3N3S and a molecular weight of 498.08 g/mol. Its IUPAC name is 5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
PubChem CID102844115
Molecular FormulaC14H16Br3N3S
Molecular Weight498.08 g/mol
Exact Mass494.86
IUPAC Name5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2cc(Br)c(Br)s2)nc(CC(C)C)c1Br
InChIInChI=1S/C14H16Br3N3S/c1-4-18-14-11(16)9(5-7(2)3)19-13(20-14)10-6-8(15)12(17)21-10/h6-7H,4-5H2,1-3H3,(H,18,19,20)
InChIKeyDWRICDIZGCKFII-UHFFFAOYSA-N
XLogP6.12
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500498.08
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)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

Related Compounds

2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 102843910
2-(4,5-dibromothiophen-2-yl)-N,6-diethyl-5-iodopyrimidin-4-amine
CID 102844007
5-bromo-2-(4,5-dibromothiophen-2-yl)-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 102844042
2-(4,5-dibromothiophen-2-yl)-N-ethyl-5-iodo-6-(methoxymethyl)pyrimidin-4-amine
CID 102844049
2-(4,5-dibromothiophen-2-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 102843946
4-chloro-2-(4,5-dibromothiophen-2-yl)-5-iodo-6-(2-methylpropyl)pyrimidine
CID 102842723
2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 102843798
5-bromo-N-ethyl-2-(3-methylfuran-2-yl)-6-(2-methylpropyl)pyrimidin-4-amine
CID 104806898
2-(4,5-dibromothiophen-2-yl)-6-ethyl-N,5-dimethylpyrimidin-4-amine
CID 102843905
2-(4,5-dibromothiophen-2-yl)-N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472685
5-bromo-2-(4,5-dibromothiophen-2-yl)-6-ethylpyrimidin-4-amine
CID 102843992
5-bromo-2-(3-bromothiophen-2-yl)-6-(2-methylpropyl)-N-propylpyrimidin-4-amine
CID 115381241

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine (CID 102844115) is 5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine is CCNc1nc(-c2cc(Br)c(Br)s2)nc(CC(C)C)c1Br.
What is the InChIKey of 5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine?
The InChIKey is DWRICDIZGCKFII-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Br3N3S/c1-4-18-14-11(16)9(5-7(2)3)19-13(20-14)10-6-8(15)12(17)21-10/h6-7H,4-5H2,1-3H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine?
5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine has a molecular weight of 498.08 g/mol, XLogP of 6.12, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 102844115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).