5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine

C14H19BrN4S — CID 80807669

IUPAC5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NC(c2cccs2)C(C)C)n1
InChIInChI=1S/C14H19BrN4S/c1-4-16-14-17-8-10(15)13(19-14)18-12(9(2)3)11-6-5-7-20-11/h5-9,12H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyRNHUAAMQGNOAJT-UHFFFAOYSA-N
MW355.31 g/mol
LogP4.54
Rot. Bonds6

About 5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine

5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine (PubChem CID 80807669) has the molecular formula C14H19BrN4S and a molecular weight of 355.31 g/mol. Its IUPAC name is 5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
PubChem CID80807669
Molecular FormulaC14H19BrN4S
Molecular Weight355.31 g/mol
Exact Mass354.05
IUPAC Name5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
SMILESCCNc1ncc(Br)c(NC(c2cccs2)C(C)C)n1
InChIInChI=1S/C14H19BrN4S/c1-4-16-14-17-8-10(15)13(19-14)18-12(9(2)3)11-6-5-7-20-11/h5-9,12H,4H2,1-3H3,(H2,16,17,18,19)
InChIKeyRNHUAAMQGNOAJT-UHFFFAOYSA-N
XLogP4.54
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.31
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807481
2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80808164
5-bromo-2-hydrazinyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80906692
5-chloro-2-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-2,4-diamine
CID 80781944
2-[[5-bromo-2-(ethylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80779857
5-bromo-2-N-ethyl-4-N-(4-methylpentan-2-yl)pyrimidine-2,4-diamine
CID 80782949
5-bromo-2-N-methyl-4-N-(1-thiophen-2-ylbutyl)pyrimidine-2,4-diamine
CID 80807318
5-bromo-2-N-ethyl-4-N-(1-pyridin-2-ylethyl)pyrimidine-2,4-diamine
CID 80781022
5-fluoro-2-N-methyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807251
2-N-ethyl-5-fluoro-4-N-(1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine
CID 80807510
5-bromo-2-N-ethyl-4-N-(6-methylheptan-2-yl)pyrimidine-2,4-diamine
CID 80801198
5-bromo-2-N-ethyl-4-N-[1-(3-fluorophenyl)ethyl]pyrimidine-2,4-diamine
CID 80802050

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine (CID 80807669) is 5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine is CCNc1ncc(Br)c(NC(c2cccs2)C(C)C)n1.
What is the InChIKey of 5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine?
The InChIKey is RNHUAAMQGNOAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN4S/c1-4-16-14-17-8-10(15)13(19-14)18-12(9(2)3)11-6-5-7-20-11/h5-9,12H,4H2,1-3H3,(H2,16,17,18,19).
What are the key properties of 5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine?
5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine has a molecular weight of 355.31 g/mol, XLogP of 4.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-N-ethyl-4-N-(2-methyl-1-thiophen-2-ylpropyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 80807669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).