4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine

C11H10BrN3OS — CID 114053339

IUPAC4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine
SMILESCOc1cc(Sc2ccccc2Br)nc(N)n1
InChIInChI=1S/C11H10BrN3OS/c1-16-9-6-10(15-11(13)14-9)17-8-5-3-2-4-7(8)12/h2-6H,1H3,(H2,13,14,15)
InChIKeyKBSOCAGTGMNSJS-UHFFFAOYSA-N
MW312.19 g/mol
LogP2.98
Rot. Bonds3

About 4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine

4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine (PubChem CID 114053339) has the molecular formula C11H10BrN3OS and a molecular weight of 312.19 g/mol. Its IUPAC name is 4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine
PubChem CID114053339
Molecular FormulaC11H10BrN3OS
Molecular Weight312.19 g/mol
Exact Mass310.97
IUPAC Name4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine
SMILESCOc1cc(Sc2ccccc2Br)nc(N)n1
InChIInChI=1S/C11H10BrN3OS/c1-16-9-6-10(15-11(13)14-9)17-8-5-3-2-4-7(8)12/h2-6H,1H3,(H2,13,14,15)
InChIKeyKBSOCAGTGMNSJS-UHFFFAOYSA-N
XLogP2.98
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.19
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-6-(2-methylphenyl)sulfanylpyrimidin-2-amine
CID 114053340
4-methoxy-6-(4-methylphenyl)sulfanylpyrimidin-2-amine
CID 114053330
6-(2-bromophenyl)sulfanyl-2-(methoxymethyl)pyrimidin-4-amine
CID 113401699
4-(3-fluorophenyl)sulfanyl-6-methoxypyrimidin-2-amine
CID 114053348
4-hydrazinyl-6-(2-methoxyphenyl)sulfanylpyrimidin-2-amine
CID 80923485
2-bromo-6-(2-bromophenyl)sulfanylpyridine
CID 63962404
4-(2-bromophenyl)sulfanyl-6-chloro-1,3,5-triazin-2-amine
CID 80888001
4-methoxy-6-phenylpyrimidin-2-amine
CID 676910
2-(2-bromophenyl)sulfanyl-5-fluoro-4-methoxyaniline
CID 63600017
[6-(2-bromophenyl)sulfanyl-4-(trifluoromethyl)-2-pyridinyl]hydrazine
CID 102721378
2-chloro-6-(2-methoxyphenyl)sulfanylpyridin-4-amine
CID 114070766
4-fluoro-6-methoxypyrimidin-2-amine
CID 759140

Frequently Asked Questions

What is the IUPAC name of 4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine?
The IUPAC name of 4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine (CID 114053339) is 4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine.
What is the SMILES notation for 4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine?
The canonical SMILES for 4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine is COc1cc(Sc2ccccc2Br)nc(N)n1.
What is the InChIKey of 4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine?
The InChIKey is KBSOCAGTGMNSJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrN3OS/c1-16-9-6-10(15-11(13)14-9)17-8-5-3-2-4-7(8)12/h2-6H,1H3,(H2,13,14,15).
What are the key properties of 4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine?
4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine has a molecular weight of 312.19 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-bromophenyl)sulfanyl-6-methoxypyrimidin-2-amine is sourced from PubChem (CID 114053339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).