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

C12H13Br2N3S — CID 66305751

IUPAC5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(Br)s2)nc(NC)c1Br
InChIInChI=1S/C12H13Br2N3S/c1-3-4-7-10(14)12(15-2)17-11(16-7)8-5-6-9(13)18-8/h5-6H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyUHEFLFAKPQDBDU-UHFFFAOYSA-N
MW391.13 g/mol
LogP4.72
Rot. Bonds4

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

5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine (PubChem CID 66305751) has the molecular formula C12H13Br2N3S and a molecular weight of 391.13 g/mol. Its IUPAC name is 5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine
PubChem CID66305751
Molecular FormulaC12H13Br2N3S
Molecular Weight391.13 g/mol
Exact Mass388.92
IUPAC Name5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccc(Br)s2)nc(NC)c1Br
InChIInChI=1S/C12H13Br2N3S/c1-3-4-7-10(14)12(15-2)17-11(16-7)8-5-6-9(13)18-8/h5-6H,3-4H2,1-2H3,(H,15,16,17)
InChIKeyUHEFLFAKPQDBDU-UHFFFAOYSA-N
XLogP4.72
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.13
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-(5-bromothiophen-2-yl)-6-propylpyrimidin-4-amine
CID 66307530
5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66304958
5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 66296335
5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 82800970
5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66296525
2-(5-bromothiophen-2-yl)-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62202786
5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 106818393
5-bromo-2-(2-cyclopropylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 79973238
5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
CID 66306541
5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66305762
5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66305557
5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 115381195

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine (CID 66305751) is 5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine is CCCc1nc(-c2ccc(Br)s2)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine?
The InChIKey is UHEFLFAKPQDBDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13Br2N3S/c1-3-4-7-10(14)12(15-2)17-11(16-7)8-5-6-9(13)18-8/h5-6H,3-4H2,1-2H3,(H,15,16,17).
What are the key properties of 5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine?
5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine has a molecular weight of 391.13 g/mol, XLogP of 4.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine is sourced from PubChem (CID 66305751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).