5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine

C15H18BrN3S — CID 66302466

IUPAC5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CSc2ccccc2C)ncc1Br
InChIInChI=1S/C15H18BrN3S/c1-3-8-17-15-12(16)9-18-14(19-15)10-20-13-7-5-4-6-11(13)2/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19)
InChIKeyZUVZRKIJLDMCEI-UHFFFAOYSA-N
MW352.30 g/mol
LogP4.66
Rot. Bonds6

About 5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine

5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine (PubChem CID 66302466) has the molecular formula C15H18BrN3S and a molecular weight of 352.30 g/mol. Its IUPAC name is 5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine
PubChem CID66302466
Molecular FormulaC15H18BrN3S
Molecular Weight352.30 g/mol
Exact Mass351.04
IUPAC Name5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine
SMILESCCCNc1nc(CSc2ccccc2C)ncc1Br
InChIInChI=1S/C15H18BrN3S/c1-3-8-17-15-12(16)9-18-14(19-15)10-20-13-7-5-4-6-11(13)2/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19)
InChIKeyZUVZRKIJLDMCEI-UHFFFAOYSA-N
XLogP4.66
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.30
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-methylphenyl)sulfanylmethyl]-N-propylpyridin-2-amine
CID 62468389
5-bromo-2-[(2-fluorophenyl)sulfanylmethyl]-N-methylpyrimidin-4-amine
CID 66301835
5-bromo-2-(2,2-dimethylpropyl)-N-propylpyrimidin-4-amine
CID 66301652
5-bromo-N-propyl-2-(pyridin-4-ylmethyl)pyrimidin-4-amine
CID 66303289
5-bromo-2-(2-methoxyethyl)-N-propylpyrimidin-4-amine
CID 66304100
5-fluoro-2-[(2-fluorophenyl)sulfanylmethyl]-6-methyl-N-propylpyrimidin-4-amine
CID 66051944
N,5-diethyl-6-methyl-2-[(2-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66097398
5-bromo-N-ethyl-2-(propylsulfanylmethyl)pyrimidin-4-amine
CID 66304089
5-bromo-2-chloro-N-propylpyrimidin-4-amine
CID 53485997
2-[(2-methylphenyl)sulfanylmethyl]-4-propylpyrimidine-5-carboxylic acid
CID 66098244
5-bromo-N-ethyl-2-[(3-fluorophenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66304099
5-bromo-N-ethyl-2-(ethylsulfanylmethyl)pyrimidin-4-amine
CID 66302260

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine?
The IUPAC name of 5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine (CID 66302466) is 5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine.
What is the SMILES notation for 5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine?
The canonical SMILES for 5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine is CCCNc1nc(CSc2ccccc2C)ncc1Br.
What is the InChIKey of 5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine?
The InChIKey is ZUVZRKIJLDMCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrN3S/c1-3-8-17-15-12(16)9-18-14(19-15)10-20-13-7-5-4-6-11(13)2/h4-7,9H,3,8,10H2,1-2H3,(H,17,18,19).
What are the key properties of 5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine?
5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine has a molecular weight of 352.30 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(2-methylphenyl)sulfanylmethyl]-N-propylpyrimidin-4-amine is sourced from PubChem (CID 66302466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).