6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine

C15H20BrN3S — CID 80976660

IUPAC6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(-c2cscc2Br)c1C
InChIInChI=1S/C15H20BrN3S/c1-5-6-17-15-10(4)13(11-7-20-8-12(11)16)18-14(19-15)9(2)3/h7-9H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyULSQZZVJORDARU-UHFFFAOYSA-N
MW354.32 g/mol
LogP5.22
Rot. Bonds5

About 6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine

6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 80976660) has the molecular formula C15H20BrN3S and a molecular weight of 354.32 g/mol. Its IUPAC name is 6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID80976660
Molecular FormulaC15H20BrN3S
Molecular Weight354.32 g/mol
Exact Mass353.06
IUPAC Name6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(C(C)C)nc(-c2cscc2Br)c1C
InChIInChI=1S/C15H20BrN3S/c1-5-6-17-15-10(4)13(11-7-20-8-12(11)16)18-14(19-15)9(2)3/h7-9H,5-6H2,1-4H3,(H,17,18,19)
InChIKeyULSQZZVJORDARU-UHFFFAOYSA-N
XLogP5.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.32
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-bromothiophen-3-yl)-2,5-dimethyl-N-propylpyrimidin-4-amine
CID 79602515
5-methyl-6-(4-methyl-3-pyridinyl)-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80975870
4-N-butyl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80980995
6-(4-bromothiophen-3-yl)-2-cyclopropyl-N-ethyl-5-methylpyrimidin-4-amine
CID 80976410
2-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]ethanol
CID 80981937
6-(5-fluoro-3-pyridinyl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 80977475
4-N-(3,3-dimethylbutan-2-yl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104830615
2-methyl-3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80991979
5-methyl-4-N-(3-methylsulfanylpropyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984789
4-N-hexan-2-yl-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80984973
4-N-(2-methoxy-2-methylpropyl)-5-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 104767285
2-methyl-1-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]butan-2-ol
CID 80981087

Frequently Asked Questions

What is the IUPAC name of 6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine (CID 80976660) is 6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(C(C)C)nc(-c2cscc2Br)c1C.
What is the InChIKey of 6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is ULSQZZVJORDARU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20BrN3S/c1-5-6-17-15-10(4)13(11-7-20-8-12(11)16)18-14(19-15)9(2)3/h7-9H,5-6H2,1-4H3,(H,17,18,19).
What are the key properties of 6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine?
6-(4-bromothiophen-3-yl)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 354.32 g/mol, XLogP of 5.22, 5 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)-5-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80976660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).