6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine

C14H16BrN3S — CID 80994557

IUPAC6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(Sc2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrN3S/c1-4-12-17-13(16-3)9(2)14(18-12)19-11-7-5-6-10(15)8-11/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyZSAXJHBDCVRQHO-UHFFFAOYSA-N
MW338.27 g/mol
LogP4.30
Rot. Bonds4

About 6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine

6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine (PubChem CID 80994557) has the molecular formula C14H16BrN3S and a molecular weight of 338.27 g/mol. Its IUPAC name is 6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
PubChem CID80994557
Molecular FormulaC14H16BrN3S
Molecular Weight338.27 g/mol
Exact Mass337.02
IUPAC Name6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
SMILESCCc1nc(NC)c(C)c(Sc2cccc(Br)c2)n1
InChIInChI=1S/C14H16BrN3S/c1-4-12-17-13(16-3)9(2)14(18-12)19-11-7-5-6-10(15)8-11/h5-8H,4H2,1-3H3,(H,16,17,18)
InChIKeyZSAXJHBDCVRQHO-UHFFFAOYSA-N
XLogP4.30
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.27
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3-bromophenyl)sulfanyl-2-ethyl-5-methylpyrimidin-4-amine
CID 80995348
6-(3,4-difluorophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80990085
4-(3-bromophenyl)sulfanyl-6-chloro-5-methyl-2-propylpyrimidine
CID 80978438
6-[(4,6-dimethyl-2-pyridinyl)sulfanyl]-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 102927033
2-ethyl-N,5-dimethyl-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylpyrimidin-4-amine
CID 80995265
5-bromo-6-(3-bromophenyl)sulfanyl-N-methylpyrimidin-4-amine
CID 114073878
6-(3,4-difluorophenyl)sulfanyl-N,5-dimethyl-2-propylpyrimidin-4-amine
CID 80991285
4-(3-bromophenyl)sulfanyl-6-chloro-2-ethylpyrimidine
CID 80936563
[6-(3-bromophenyl)sulfanyl-2-cyclopropyl-5-methylpyrimidin-4-yl]hydrazine
CID 81001755
2-ethyl-N,5-dimethyl-6-(3-methylphenyl)pyrimidin-4-amine
CID 80975057
N,2-diethyl-5-methyl-6-(4-methylphenyl)sulfanylpyrimidin-4-amine
CID 80991208
N,5-dimethyl-6-(3-methylphenyl)sulfanyl-2-propan-2-ylpyrimidin-4-amine
CID 80991106

Frequently Asked Questions

What is the IUPAC name of 6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The IUPAC name of 6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine (CID 80994557) is 6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine.
What is the SMILES notation for 6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The canonical SMILES for 6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine is CCc1nc(NC)c(C)c(Sc2cccc(Br)c2)n1.
What is the InChIKey of 6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine?
The InChIKey is ZSAXJHBDCVRQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3S/c1-4-12-17-13(16-3)9(2)14(18-12)19-11-7-5-6-10(15)8-11/h5-8H,4H2,1-3H3,(H,16,17,18).
What are the key properties of 6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine?
6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine has a molecular weight of 338.27 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine is sourced from PubChem (CID 80994557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).