5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine

C11H14BrN5S — CID 114072292

IUPAC5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2scnc2C)c1Br
InChIInChI=1S/C11H14BrN5S/c1-3-13-10-9(12)11(16-5-15-10)14-4-8-7(2)17-6-18-8/h5-6H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyBRFWPKVTIASWJU-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.05
Rot. Bonds5

About 5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine

5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine (PubChem CID 114072292) has the molecular formula C11H14BrN5S and a molecular weight of 328.24 g/mol. Its IUPAC name is 5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
PubChem CID114072292
Molecular FormulaC11H14BrN5S
Molecular Weight328.24 g/mol
Exact Mass327.02
IUPAC Name5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NCc2scnc2C)c1Br
InChIInChI=1S/C11H14BrN5S/c1-3-13-10-9(12)11(16-5-15-10)14-4-8-7(2)17-6-18-8/h5-6H,3-4H2,1-2H3,(H2,13,14,15,16)
InChIKeyBRFWPKVTIASWJU-UHFFFAOYSA-N
XLogP3.05
TPSA62.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine with MolForge

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Related Compounds

5-bromo-2-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-2,4-diamine
CID 80829597
6-N-ethyl-5-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984746
5-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 105369409
5-bromo-4-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-N-ethylpyrimidine-4,6-diamine
CID 106378774
4-chloro-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyrimidine-5-carbaldehyde
CID 66369207
6-N-ethyl-4-N-methyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-ylpyrimidine-4,6-diamine
CID 80818951
3-chloro-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrazin-2-amine
CID 63283679
5-amino-6-[(4-methyl-1,3-thiazol-5-yl)methylamino]pyridine-3-carbonitrile
CID 103468421
5-ethyl-4-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-pyrazol-3-amine
CID 71914474
5-bromo-N,6-diethylpyrimidin-4-amine
CID 66298468
6-chloro-2-ethyl-5-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidin-4-amine
CID 79557730
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1H-imidazol-2-amine
CID 106572943

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The IUPAC name of 5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine (CID 114072292) is 5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine.
What is the SMILES notation for 5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The canonical SMILES for 5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine is CCNc1ncnc(NCc2scnc2C)c1Br.
What is the InChIKey of 5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
The InChIKey is BRFWPKVTIASWJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrN5S/c1-3-13-10-9(12)11(16-5-15-10)14-4-8-7(2)17-6-18-8/h5-6H,3-4H2,1-2H3,(H2,13,14,15,16).
What are the key properties of 5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine?
5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine has a molecular weight of 328.24 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-N-ethyl-4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]pyrimidine-4,6-diamine is sourced from PubChem (CID 114072292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).