6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine

C13H16BrN3S — CID 79602515

IUPAC6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(-c2cscc2Br)c1C
InChIInChI=1S/C13H16BrN3S/c1-4-5-15-13-8(2)12(16-9(3)17-13)10-6-18-7-11(10)14/h6-7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyVMSOTVHDGKXRDN-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.41
Rot. Bonds4

About 6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine

6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 79602515) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
PubChem CID79602515
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C)nc(-c2cscc2Br)c1C
InChIInChI=1S/C13H16BrN3S/c1-4-5-15-13-8(2)12(16-9(3)17-13)10-6-18-7-11(10)14/h6-7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyVMSOTVHDGKXRDN-UHFFFAOYSA-N
XLogP4.41
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80976660
6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80976410
2,5-dimethyl-4-N-(2-methylpropyl)-6-N-propylpyrimidine-4,6-diamine
CID 80769669
6-(3-chloro-4-methylphenyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 115504238
5-bromo-2,6-dimethyl-N-propylpyrimidin-4-amine
CID 66304687
4-N-(3-bromo-4-chlorophenyl)-2,5-dimethyl-6-N-propylpyrimidine-4,6-diamine
CID 80838341
2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 55194037
6-(2,2-dimethylhydrazinyl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 83025046
4-N,4-N,2,5-tetramethyl-6-N-propylpyrimidine-4,6-diamine
CID 80766122
2,5-dimethyl-4-N-(3-methylbutyl)-6-N-propylpyrimidine-4,6-diamine
CID 80784732
2,5-dimethyl-4-N-[(2-methylthiolan-2-yl)methyl]-6-N-propylpyrimidine-4,6-diamine
CID 80853489
2,5-dimethyl-6-N-propyl-4-N-(3,3,3-trifluoropropyl)pyrimidine-4,6-diamine
CID 80828474

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine (CID 79602515) is 6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(C)nc(-c2cscc2Br)c1C.
What is the InChIKey of 6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is VMSOTVHDGKXRDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-4-5-15-13-8(2)12(16-9(3)17-13)10-6-18-7-11(10)14/h6-7H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine?
6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine has a molecular weight of 326.26 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 79602515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).