6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine

C12H12BrN3OS — CID 113401699

IUPAC6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(N)cc(Sc2ccccc2Br)n1
InChIInChI=1S/C12H12BrN3OS/c1-17-7-11-15-10(14)6-12(16-11)18-9-5-3-2-4-8(9)13/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyJVTQVHHJHXFHSU-UHFFFAOYSA-N
MW326.22 g/mol
LogP3.12
Rot. Bonds4

About 6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine

6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine (PubChem CID 113401699) has the molecular formula C12H12BrN3OS and a molecular weight of 326.22 g/mol. Its IUPAC name is 6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine
PubChem CID113401699
Molecular FormulaC12H12BrN3OS
Molecular Weight326.22 g/mol
Exact Mass324.99
IUPAC Name6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine
SMILESCOCc1nc(N)cc(Sc2ccccc2Br)n1
InChIInChI=1S/C12H12BrN3OS/c1-17-7-11-15-10(14)6-12(16-11)18-9-5-3-2-4-8(9)13/h2-6H,7H2,1H3,(H2,14,15,16)
InChIKeyJVTQVHHJHXFHSU-UHFFFAOYSA-N
XLogP3.12
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-(2-fluorophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113401710
4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine
CID 114053339
2-(methoxymethyl)-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]pyrimidin-4-amine
CID 113401730
2-(methoxymethyl)-6-(2-methylbutylsulfanyl)pyrimidin-4-amine
CID 107765753
5-bromo-2-[(2-bromophenyl)sulfanylmethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 66299959
4-N-(4-bromo-2,3-dichlorophenyl)-2-(methoxymethyl)pyrimidine-4,6-diamine
CID 107794910
2-bromo-6-(2-bromophenyl)sulfanylpyridine
CID 63962404
2-(methoxymethyl)-6-(1H-pyrrol-2-yl)pyrimidin-4-amine
CID 103341838
4-(2-bromophenyl)sulfanyl-6-ethoxy-N-ethyl-1,3,5-triazin-2-amine
CID 80888661
6-(4-bromo-2,5-dichlorophenoxy)-2-(methoxymethyl)pyrimidin-4-amine
CID 107662690
4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine
CID 80888001
(1R)-1-[2-(2-bromophenyl)sulfanylphenyl]ethanamine
CID 78938611

Frequently Asked Questions

What is the IUPAC name of 6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine?
The IUPAC name of 6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine (CID 113401699) is 6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine is COCc1nc(N)cc(Sc2ccccc2Br)n1.
What is the InChIKey of 6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine?
The InChIKey is JVTQVHHJHXFHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrN3OS/c1-17-7-11-15-10(14)6-12(16-11)18-9-5-3-2-4-8(9)13/h2-6H,7H2,1H3,(H2,14,15,16).
What are the key properties of 6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine?
6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine has a molecular weight of 326.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine is sourced from PubChem (CID 113401699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).