5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine

C13H15Br2N3S — CID 66305762

IUPAC5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cc(Br)cs2)nc(NCC)c1Br
InChIInChI=1S/C13H15Br2N3S/c1-3-5-9-11(15)13(16-4-2)18-12(17-9)10-6-8(14)7-19-10/h6-7H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyYCMPXIXEHDBRMY-UHFFFAOYSA-N
MW405.16 g/mol
LogP5.11
Rot. Bonds5

About 5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine

5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine (PubChem CID 66305762) has the molecular formula C13H15Br2N3S and a molecular weight of 405.16 g/mol. Its IUPAC name is 5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
PubChem CID66305762
Molecular FormulaC13H15Br2N3S
Molecular Weight405.16 g/mol
Exact Mass402.94
IUPAC Name5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2cc(Br)cs2)nc(NCC)c1Br
InChIInChI=1S/C13H15Br2N3S/c1-3-5-9-11(15)13(16-4-2)18-12(17-9)10-6-8(14)7-19-10/h6-7H,3-5H2,1-2H3,(H,16,17,18)
InChIKeyYCMPXIXEHDBRMY-UHFFFAOYSA-N
XLogP5.11
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.16
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-bromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63559863
5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 66305425
5-bromo-N-ethyl-6-propyl-2-pyrazin-2-ylpyrimidin-4-amine
CID 66305962
2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 55194037
5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66306562
5-bromo-2-(2-bromo-4-fluorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 107281439
2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine
CID 63613660
2-(4-bromothiophen-2-yl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 66301815
5-bromo-2-(2-chlorophenyl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66306558
5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66307154
5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 66296335
5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305751

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine (CID 66305762) is 5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine is CCCc1nc(-c2cc(Br)cs2)nc(NCC)c1Br.
What is the InChIKey of 5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine?
The InChIKey is YCMPXIXEHDBRMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Br2N3S/c1-3-5-9-11(15)13(16-4-2)18-12(17-9)10-6-8(14)7-19-10/h6-7H,3-5H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine?
5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine has a molecular weight of 405.16 g/mol, XLogP of 5.11, 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-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66305762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).