5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine

C14H15BrClN3S — CID 66301009

IUPAC5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(CSc2cccc(Cl)c2)nc(NC)c1Br
InChIInChI=1S/C14H15BrClN3S/c1-3-11-13(15)14(17-2)19-12(18-11)8-20-10-6-4-5-9(16)7-10/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyDYKCOWNKBXZWCF-UHFFFAOYSA-N
MW372.72 g/mol
LogP4.79
Rot. Bonds5

About 5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine

5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine (PubChem CID 66301009) has the molecular formula C14H15BrClN3S and a molecular weight of 372.72 g/mol. Its IUPAC name is 5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine
PubChem CID66301009
Molecular FormulaC14H15BrClN3S
Molecular Weight372.72 g/mol
Exact Mass370.99
IUPAC Name5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1nc(CSc2cccc(Cl)c2)nc(NC)c1Br
InChIInChI=1S/C14H15BrClN3S/c1-3-11-13(15)14(17-2)19-12(18-11)8-20-10-6-4-5-9(16)7-10/h4-7H,3,8H2,1-2H3,(H,17,18,19)
InChIKeyDYKCOWNKBXZWCF-UHFFFAOYSA-N
XLogP4.79
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.72
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66299315
4-chloro-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-5-iodopyrimidine
CID 66292997
6-ethyl-N,5-dimethyl-2-(phenylsulfanylmethyl)pyrimidin-4-amine
CID 65143637
2-[(3-chlorophenyl)sulfanylmethyl]-N-methyl-5,6,7,8-tetrahydroquinazolin-4-amine
CID 66148327
2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 66146454
5-bromo-6-ethyl-2-(phenylsulfanylmethyl)-N-propylpyrimidin-4-amine
CID 66298866
2-[(3-chlorophenyl)sulfanylmethyl]-4-ethyl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 114740778
5-bromo-2-[(2-chlorophenyl)sulfanylmethyl]-N-methyl-6-propylpyrimidin-4-amine
CID 66304952
[2-[(3-chlorophenyl)sulfanylmethyl]-6-ethylpyrimidin-4-yl]hydrazine
CID 66146872
2-[(3-chlorophenyl)sulfanylmethyl]-4-ethylpyrimidine-5-carboxylic acid
CID 66148532
4,6-dichloro-2-[(3-chlorophenyl)sulfanylmethyl]-5-fluoropyrimidine
CID 80550233
5-bromo-2-[(4-chlorophenyl)sulfanylmethyl]-N-methyl-6-propan-2-ylpyrimidin-4-amine
CID 66301089

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine (CID 66301009) is 5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine is CCc1nc(CSc2cccc(Cl)c2)nc(NC)c1Br.
What is the InChIKey of 5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is DYKCOWNKBXZWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3S/c1-3-11-13(15)14(17-2)19-12(18-11)8-20-10-6-4-5-9(16)7-10/h4-7H,3,8H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine?
5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 372.72 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3-chlorophenyl)sulfanylmethyl]-6-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 66301009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).