5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine

C14H18BrN3S — CID 66306562

IUPAC5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccsc2)nc(CCC)c1Br
InChIInChI=1S/C14H18BrN3S/c1-3-5-11-12(15)14(16-7-4-2)18-13(17-11)10-6-8-19-9-10/h6,8-9H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyDAZFIMVRQFWOCK-UHFFFAOYSA-N
MW340.29 g/mol
LogP4.74
Rot. Bonds6

About 5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine

5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine (PubChem CID 66306562) has the molecular formula C14H18BrN3S and a molecular weight of 340.29 g/mol. Its IUPAC name is 5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine
PubChem CID66306562
Molecular FormulaC14H18BrN3S
Molecular Weight340.29 g/mol
Exact Mass339.04
IUPAC Name5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccsc2)nc(CCC)c1Br
InChIInChI=1S/C14H18BrN3S/c1-3-5-11-12(15)14(16-7-4-2)18-13(17-11)10-6-8-19-9-10/h6,8-9H,3-5,7H2,1-2H3,(H,16,17,18)
InChIKeyDAZFIMVRQFWOCK-UHFFFAOYSA-N
XLogP4.74
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.29
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66304958
5-bromo-2-(4-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66305370
5-bromo-2-(3-bromothiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 115381195
N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66306988
N-propyl-2-thiophen-3-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62192826
5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 66296335
5-bromo-2-(2-chlorophenyl)-N,6-dipropylpyrimidin-4-amine
CID 66306369
5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66305762
5-bromo-2-(3-methylimidazol-4-yl)-N,6-dipropylpyrimidin-4-amine
CID 66296529
5-bromo-2-(3,4-dichlorophenyl)-6-ethyl-N-propylpyrimidin-4-amine
CID 66296374
5-methyl-N,2-dipropyl-6-thiophen-3-ylpyrimidin-4-amine
CID 80976401
5-bromo-N-ethyl-2-(3-methoxyphenyl)-6-propylpyrimidin-4-amine
CID 66307154

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine (CID 66306562) is 5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine is CCCNc1nc(-c2ccsc2)nc(CCC)c1Br.
What is the InChIKey of 5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine?
The InChIKey is DAZFIMVRQFWOCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3S/c1-3-5-11-12(15)14(16-7-4-2)18-13(17-11)10-6-8-19-9-10/h6,8-9H,3-5,7H2,1-2H3,(H,16,17,18).
What are the key properties of 5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine?
5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine has a molecular weight of 340.29 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine is sourced from PubChem (CID 66306562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).