2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine

C13H15Br2N3S — CID 102843798

IUPAC2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(C(C)C)nc(-c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C13H15Br2N3S/c1-4-16-11-6-9(7(2)3)17-13(18-11)10-5-8(14)12(15)19-10/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyDRKQKNZXMZSACZ-UHFFFAOYSA-N
MW405.16 g/mol
LogP5.29
Rot. Bonds4

About 2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine

2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine (PubChem CID 102843798) 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-ethyl-6-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
PubChem CID102843798
Molecular FormulaC13H15Br2N3S
Molecular Weight405.16 g/mol
Exact Mass402.94
IUPAC Name2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
SMILESCCNc1cc(C(C)C)nc(-c2cc(Br)c(Br)s2)n1
InChIInChI=1S/C13H15Br2N3S/c1-4-16-11-6-9(7(2)3)17-13(18-11)10-5-8(14)12(15)19-10/h5-7H,4H2,1-3H3,(H,16,17,18)
InChIKeyDRKQKNZXMZSACZ-UHFFFAOYSA-N
XLogP5.29
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 ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-ethyl-2,6-di(propan-2-yl)pyrimidin-4-amine
CID 62191637
5-bromo-2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-(2-methylpropyl)pyrimidin-4-amine
CID 102844115
N-ethyl-2-phenyl-6-propan-2-ylpyrimidin-4-amine
CID 62191461
2-(4-bromo-2-methylphenyl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine
CID 103083750
N-ethyl-6-propan-2-yl-2-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 63485062
N-ethyl-6-propan-2-yl-2-(1,3-thiazol-2-yl)pyrimidin-4-amine
CID 113373108
N-ethyl-2-methyl-6-propan-2-ylpyrimidin-4-amine
CID 62191118
N-ethyl-2-(2-methylpyrazol-3-yl)-6-propan-2-ylpyrimidin-4-amine
CID 114554287
2-(4,5-dibromothiophen-2-yl)-N-ethyl-5-iodo-6-methylpyrimidin-4-amine
CID 102843946
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
N-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyrimidin-4-amine
CID 115990720

Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine (CID 102843798) is 2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine is CCNc1cc(C(C)C)nc(-c2cc(Br)c(Br)s2)n1.
What is the InChIKey of 2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
The InChIKey is DRKQKNZXMZSACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3S/c1-4-16-11-6-9(7(2)3)17-13(18-11)10-5-8(14)12(15)19-10/h5-7H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine?
2-(4,5-dibromothiophen-2-yl)-N-ethyl-6-propan-2-ylpyrimidin-4-amine has a molecular weight of 405.16 g/mol, XLogP of 5.29, 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-ethyl-6-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 102843798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).