5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine

C9H14BrN3S — CID 66302260

IUPAC5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(CSCC)ncc1Br
InChIInChI=1S/C9H14BrN3S/c1-3-11-9-7(10)5-12-8(13-9)6-14-4-2/h5H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyNCFWYABDEUAXJS-UHFFFAOYSA-N
MW276.20 g/mol
LogP2.92
Rot. Bonds5

About 5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine

5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine (PubChem CID 66302260) has the molecular formula C9H14BrN3S and a molecular weight of 276.20 g/mol. Its IUPAC name is 5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
PubChem CID66302260
Molecular FormulaC9H14BrN3S
Molecular Weight276.20 g/mol
Exact Mass275.01
IUPAC Name5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
SMILESCCNc1nc(CSCC)ncc1Br
InChIInChI=1S/C9H14BrN3S/c1-3-11-9-7(10)5-12-8(13-9)6-14-4-2/h5H,3-4,6H2,1-2H3,(H,11,12,13)
InChIKeyNCFWYABDEUAXJS-UHFFFAOYSA-N
XLogP2.92
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.20
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66304089
5-bromo-N-ethyl-2-(propoxymethyl)pyrimidin-4-amine
CID 66301436
5-bromo-N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66304099
5-bromo-N,6-diethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 66298665
5-bromo-2-[(2-bromophenyl)methyl]-N-ethylpyrimidin-4-amine
CID 66302872
N-ethyl-5-iodo-2-(2-methylpropylsulfanylmethyl)pyrimidin-4-amine
CID 66302915
5-bromo-N-ethyl-2-[(3-methylphenyl)methyl]pyrimidin-4-amine
CID 66303082
2-(ethylsulfanylmethyl)-4,5-dimethylpyrimidine
CID 151683415
5-bromo-2-(2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 66301652
5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine
CID 66302466
5-bromo-N-ethyl-2-(5-fluoro-2-pyridinyl)pyrimidin-4-amine
CID 79717868
5-bromo-2-N-ethyl-4-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 80776985

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine?
The IUPAC name of 5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine (CID 66302260) is 5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine?
The canonical SMILES for 5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine is CCNc1nc(CSCC)ncc1Br.
What is the InChIKey of 5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine?
The InChIKey is NCFWYABDEUAXJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14BrN3S/c1-3-11-9-7(10)5-12-8(13-9)6-14-4-2/h5H,3-4,6H2,1-2H3,(H,11,12,13).
What are the key properties of 5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine?
5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine has a molecular weight of 276.20 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 66302260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).