5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine

C16H22BrN3S — CID 66297560

IUPAC5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(CC)s2)nc(C(C)C)c1Br
InChIInChI=1S/C16H22BrN3S/c1-5-9-18-16-13(17)14(10(3)4)19-15(20-16)12-8-7-11(6-2)21-12/h7-8,10H,5-6,9H2,1-4H3,(H,18,19,20)
InChIKeyREPTXOSQPFUCTM-UHFFFAOYSA-N
MW368.34 g/mol
LogP5.48
Rot. Bonds6

About 5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine

5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine (PubChem CID 66297560) has the molecular formula C16H22BrN3S and a molecular weight of 368.34 g/mol. Its IUPAC name is 5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
PubChem CID66297560
Molecular FormulaC16H22BrN3S
Molecular Weight368.34 g/mol
Exact Mass367.07
IUPAC Name5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(-c2ccc(CC)s2)nc(C(C)C)c1Br
InChIInChI=1S/C16H22BrN3S/c1-5-9-18-16-13(17)14(10(3)4)19-15(20-16)12-8-7-11(6-2)21-12/h7-8,10H,5-6,9H2,1-4H3,(H,18,19,20)
InChIKeyREPTXOSQPFUCTM-UHFFFAOYSA-N
XLogP5.48
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.34
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-bromo-2-(5-ethylthiophen-2-yl)-N,6-dipropylpyrimidin-4-amine
CID 66296335
5-bromo-2-(5-ethylfuran-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297944
5-bromo-2-(furan-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66298546
N-ethyl-2-(5-ethylthiophen-2-yl)-5-iodo-6-propan-2-ylpyrimidin-4-amine
CID 66297952
5-bromo-2-(2,5-dimethylthiophen-3-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66297751
5-iodo-2-(5-methylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66296414
5-bromo-6-propan-2-yl-N-propyl-2-pyridin-3-ylpyrimidin-4-amine
CID 66301103
5-bromo-2-(5-fluoro-2-pyridinyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 79713731
5-bromo-2-butan-2-yl-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299335
5-bromo-6-tert-butyl-2-(5-ethylthiophen-2-yl)pyrimidin-4-amine
CID 66297120
5-bromo-N-ethyl-2-(5-ethylfuran-2-yl)-6-propan-2-ylpyrimidin-4-amine
CID 66296402
5-bromo-2-(methylsulfanylmethyl)-6-propan-2-yl-N-propylpyrimidin-4-amine
CID 66299727

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine (CID 66297560) is 5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine is CCCNc1nc(-c2ccc(CC)s2)nc(C(C)C)c1Br.
What is the InChIKey of 5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
The InChIKey is REPTXOSQPFUCTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22BrN3S/c1-5-9-18-16-13(17)14(10(3)4)19-15(20-16)12-8-7-11(6-2)21-12/h7-8,10H,5-6,9H2,1-4H3,(H,18,19,20).
What are the key properties of 5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine?
5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine has a molecular weight of 368.34 g/mol, XLogP of 5.48, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(5-ethylthiophen-2-yl)-6-propan-2-yl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66297560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).