5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine

C10H15BrN4S — CID 80763982

IUPAC5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine
SMILESCCNc1ncc(Br)c(N2CCSCC2)n1
InChIInChI=1S/C10H15BrN4S/c1-2-12-10-13-7-8(11)9(14-10)15-3-5-16-6-4-15/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyDAUFFJMZSLONAO-UHFFFAOYSA-N
MW303.23 g/mol
LogP2.22
Rot. Bonds3

About 5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine

5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine (PubChem CID 80763982) has the molecular formula C10H15BrN4S and a molecular weight of 303.23 g/mol. Its IUPAC name is 5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine
PubChem CID80763982
Molecular FormulaC10H15BrN4S
Molecular Weight303.23 g/mol
Exact Mass302.02
IUPAC Name5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine
SMILESCCNc1ncc(Br)c(N2CCSCC2)n1
InChIInChI=1S/C10H15BrN4S/c1-2-12-10-13-7-8(11)9(14-10)15-3-5-16-6-4-15/h7H,2-6H2,1H3,(H,12,13,14)
InChIKeyDAUFFJMZSLONAO-UHFFFAOYSA-N
XLogP2.22
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.23
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-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-N-ethyl-4-pyrrolidin-1-ylpyrimidin-2-amine
CID 80767151
1-[5-bromo-2-(ethylamino)pyrimidin-4-yl]-4-methylpiperidin-4-ol
CID 81107678
5-bromo-N-ethyl-4-(4-ethylazepan-1-yl)pyrimidin-2-amine
CID 80837449
4-(azocan-1-yl)-5-bromo-N-propylpyrimidin-2-amine
CID 80764338
4-[5-bromo-2-(ethylamino)pyrimidin-4-yl]piperazin-2-one
CID 80763945
5-bromo-N-ethyl-4-[3-(methoxymethyl)pyrrolidin-1-yl]pyrimidin-2-amine
CID 80844726
5-bromo-4-(4-ethylpiperazin-1-yl)-N-propylpyrimidin-2-amine
CID 80761980
5-bromo-N-ethyl-4-(1,3,4,5-tetrahydro-2-benzazepin-2-yl)pyrimidin-2-amine
CID 80810634
5-bromo-4-(6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-N-ethylpyrimidin-2-amine
CID 80843997
5-bromo-4-(4-methyl-1,4-diazepan-1-yl)-N-propylpyrimidin-2-amine
CID 80766308
[5-bromo-4-(4-ethylpiperazin-1-yl)pyrimidin-2-yl]hydrazine
CID 80928369
N'-[4-(azepan-1-yl)-5-bromopyrimidin-2-yl]ethane-1,2-diamine;dihydrochloride
CID 66903553

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine?
The IUPAC name of 5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine (CID 80763982) is 5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine.
What is the SMILES notation for 5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine?
The canonical SMILES for 5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine is CCNc1ncc(Br)c(N2CCSCC2)n1.
What is the InChIKey of 5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine?
The InChIKey is DAUFFJMZSLONAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4S/c1-2-12-10-13-7-8(11)9(14-10)15-3-5-16-6-4-15/h7H,2-6H2,1H3,(H,12,13,14).
What are the key properties of 5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine?
5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine has a molecular weight of 303.23 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-4-thiomorpholin-4-ylpyrimidin-2-amine is sourced from PubChem (CID 80763982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).