5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine

C12H14BrN3S — CID 66304958

IUPAC5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccsc2)nc(NC)c1Br
InChIInChI=1S/C12H14BrN3S/c1-3-4-9-10(13)12(14-2)16-11(15-9)8-5-6-17-7-8/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyLAGJQYXTVSYCNC-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.96
Rot. Bonds4

About 5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine

5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine (PubChem CID 66304958) has the molecular formula C12H14BrN3S and a molecular weight of 312.24 g/mol. Its IUPAC name is 5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
PubChem CID66304958
Molecular FormulaC12H14BrN3S
Molecular Weight312.24 g/mol
Exact Mass311.01
IUPAC Name5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
SMILESCCCc1nc(-c2ccsc2)nc(NC)c1Br
InChIInChI=1S/C12H14BrN3S/c1-3-4-9-10(13)12(14-2)16-11(15-9)8-5-6-17-7-8/h5-7H,3-4H2,1-2H3,(H,14,15,16)
InChIKeyLAGJQYXTVSYCNC-UHFFFAOYSA-N
XLogP3.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N,6-dipropyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66306562
N-ethyl-5-iodo-6-propyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66306988
5-bromo-2-(5-bromothiophen-2-yl)-N-methyl-6-propylpyrimidin-4-amine
CID 66305751
5-bromo-2-(3-bromo-4-fluorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 82800970
5-bromo-2-(3-chloro-4-methylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 106818393
5-bromo-N-methyl-6-propyl-2-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 66305557
5-bromo-2-(2-bromo-5-chlorophenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 66296525
5-bromo-2-(2-cyclopropylphenyl)-N-methyl-6-propylpyrimidin-4-amine
CID 79973238
6-tert-butyl-5-iodo-N-methyl-2-thiophen-3-ylpyrimidin-4-amine
CID 66298623
5-bromo-2-ethyl-N-methyl-6-propylpyrimidin-4-amine
CID 66306541
6-ethyl-N-methyl-2-thiophen-3-ylthieno[2,3-d]pyrimidin-4-amine
CID 63616459
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-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine?
The IUPAC name of 5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine (CID 66304958) is 5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine is CCCc1nc(-c2ccsc2)nc(NC)c1Br.
What is the InChIKey of 5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine?
The InChIKey is LAGJQYXTVSYCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3S/c1-3-4-9-10(13)12(14-2)16-11(15-9)8-5-6-17-7-8/h5-7H,3-4H2,1-2H3,(H,14,15,16).
What are the key properties of 5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine?
5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine has a molecular weight of 312.24 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-6-propyl-2-thiophen-3-ylpyrimidin-4-amine is sourced from PubChem (CID 66304958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).