3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine

C12H19BrN4S — CID 114173719

IUPAC3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NCCN2CCSCC2)c1Br
InChIInChI=1S/C12H19BrN4S/c1-9-10(14)8-16-12(11(9)13)15-2-3-17-4-6-18-7-5-17/h8H,2-7,14H2,1H3,(H,15,16)
InChIKeyQOSFSXKOERAIKY-UHFFFAOYSA-N
MW331.28 g/mol
LogP2.20
Rot. Bonds4

About 3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine

3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine (PubChem CID 114173719) has the molecular formula C12H19BrN4S and a molecular weight of 331.28 g/mol. Its IUPAC name is 3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine.

Molecular Properties

Compound Name3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
PubChem CID114173719
Molecular FormulaC12H19BrN4S
Molecular Weight331.28 g/mol
Exact Mass330.05
IUPAC Name3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine
SMILESCc1c(N)cnc(NCCN2CCSCC2)c1Br
InChIInChI=1S/C12H19BrN4S/c1-9-10(14)8-16-12(11(9)13)15-2-3-17-4-6-18-7-5-17/h8H,2-7,14H2,1H3,(H,15,16)
InChIKeyQOSFSXKOERAIKY-UHFFFAOYSA-N
XLogP2.20
TPSA54.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.28
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-bromo-4-methyl-2-N-(2-pyrazol-1-ylethyl)pyridine-2,5-diamine
CID 113420419
3-bromo-2-N-ethyl-4-methylpyridine-2,5-diamine
CID 104506234
3-bromo-4-methyl-2-N-(3,3,3-trifluoropropyl)pyridine-2,5-diamine
CID 104506832
5-ethyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327548
3-bromo-2-N-(1,4-dithian-2-ylmethyl)-4-methylpyridine-2,5-diamine
CID 113489304
3-bromo-4-methyl-2-N-(3-pyrazol-1-ylpropyl)pyridine-2,5-diamine
CID 113420539
3-bromo-4-methyl-2-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyridine-2,5-diamine
CID 104506810
3-methyl-N-(2-thiomorpholin-4-ylethyl)pyridin-2-amine
CID 106325916
4-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]butanamide
CID 104506470
3-bromo-2-N-(2-cyclopentyloxyethyl)-4-methylpyridine-2,5-diamine
CID 113420486
2-ethyl-5-methyl-4-N-(2-thiomorpholin-4-ylethyl)pyrimidine-4,6-diamine
CID 106327553
2-[2-[(5-amino-3-bromo-4-methyl-2-pyridinyl)amino]ethoxy]ethanol
CID 104506759

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine?
The IUPAC name of 3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine (CID 114173719) is 3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine.
What is the SMILES notation for 3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine?
The canonical SMILES for 3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine is Cc1c(N)cnc(NCCN2CCSCC2)c1Br.
What is the InChIKey of 3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine?
The InChIKey is QOSFSXKOERAIKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN4S/c1-9-10(14)8-16-12(11(9)13)15-2-3-17-4-6-18-7-5-17/h8H,2-7,14H2,1H3,(H,15,16).
What are the key properties of 3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine?
3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine has a molecular weight of 331.28 g/mol, XLogP of 2.20, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-methyl-2-N-(2-thiomorpholin-4-ylethyl)pyridine-2,5-diamine is sourced from PubChem (CID 114173719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).