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

C13H16BrN3S — CID 55194037

IUPAC2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(Br)cs2)nc(C)c1C
InChIInChI=1S/C13H16BrN3S/c1-4-5-15-12-8(2)9(3)16-13(17-12)11-6-10(14)7-18-11/h6-7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyYWKKEMGEEYPHQE-UHFFFAOYSA-N
MW326.26 g/mol
LogP4.41
Rot. Bonds4

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

2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine (PubChem CID 55194037) has the molecular formula C13H16BrN3S and a molecular weight of 326.26 g/mol. Its IUPAC name is 2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine
PubChem CID55194037
Molecular FormulaC13H16BrN3S
Molecular Weight326.26 g/mol
Exact Mass325.02
IUPAC Name2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2cc(Br)cs2)nc(C)c1C
InChIInChI=1S/C13H16BrN3S/c1-4-5-15-12-8(2)9(3)16-13(17-12)11-6-10(14)7-18-11/h6-7H,4-5H2,1-3H3,(H,15,16,17)
InChIKeyYWKKEMGEEYPHQE-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

2-(4-bromothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 63480516
2-(4-bromothiophen-2-yl)-N,6-diethyl-5-methylpyrimidin-4-amine
CID 63559863
2-(4-bromothiophen-2-yl)-5-iodo-6-(methoxymethyl)-N-propylpyrimidin-4-amine
CID 66301815
2-(4-chlorothiophen-2-yl)-6-methyl-5-propan-2-yl-N-propylpyrimidin-4-amine
CID 79427994
2-(4-bromothiophen-2-yl)-5-iodo-N,6-dimethylpyrimidin-4-amine
CID 66306503
5-bromo-2-(4-bromothiophen-2-yl)-N-ethyl-6-propylpyrimidin-4-amine
CID 66305762
5-bromo-2-(4-bromothiophen-2-yl)-6-tert-butyl-N-ethylpyrimidin-4-amine
CID 66305425
6-(4-bromothiophen-2-yl)-2-(propylamino)pyridine-3-carbonitrile
CID 107355274
2-(4-bromothiophen-2-yl)-N,6-dimethyl-5-propan-2-ylpyrimidin-4-amine
CID 63481025
2-(2,6-dichlorophenyl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 63480505
2-(6-methoxypyrimidin-4-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine
CID 102952705
2-(4-bromothiophen-2-yl)-4,6-dichloro-5-propylpyrimidine
CID 63613660

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine (CID 55194037) is 2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2cc(Br)cs2)nc(C)c1C.
What is the InChIKey of 2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine?
The InChIKey is YWKKEMGEEYPHQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3S/c1-4-5-15-12-8(2)9(3)16-13(17-12)11-6-10(14)7-18-11/h6-7H,4-5H2,1-3H3,(H,15,16,17).
What are the key properties of 2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine?
2-(4-bromothiophen-2-yl)-5,6-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 2-(4-bromothiophen-2-yl)-5,6-dimethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 55194037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).