2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

C15H14BrN3S2 — CID 66159639

IUPAC2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2cccc(Br)c2)nc2sc(C)cc12
InChIInChI=1S/C15H14BrN3S2/c1-9-6-12-14(17-2)18-13(19-15(12)21-9)8-20-11-5-3-4-10(16)7-11/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyHHOCXURJYULATL-UHFFFAOYSA-N
MW380.34 g/mol
LogP5.10
Rot. Bonds4

About 2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine

2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 66159639) has the molecular formula C15H14BrN3S2 and a molecular weight of 380.34 g/mol. Its IUPAC name is 2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
PubChem CID66159639
Molecular FormulaC15H14BrN3S2
Molecular Weight380.34 g/mol
Exact Mass378.98
IUPAC Name2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
SMILESCNc1nc(CSc2cccc(Br)c2)nc2sc(C)cc12
InChIInChI=1S/C15H14BrN3S2/c1-9-6-12-14(17-2)18-13(19-15(12)21-9)8-20-11-5-3-4-10(16)7-11/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyHHOCXURJYULATL-UHFFFAOYSA-N
XLogP5.10
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.34
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-chlorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 66146454
2-[(4-fluorophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 66064348
4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103334827
3-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methylsulfanyl]phenol
CID 104591110
N,6-dimethyl-2-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 63617005
5-bromo-N-methyl-2-[(3-methylphenyl)sulfanylmethyl]pyrimidin-4-amine
CID 66302652
5-bromo-2-[(3-bromophenyl)sulfanylmethyl]-4,6-dichloropyrimidine
CID 66316000
6-(3-bromophenyl)sulfanyl-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80994557
N,2,6-trimethylthieno[2,3-d]pyrimidin-4-amine
CID 12820932
2-[(3-bromophenyl)sulfanylmethyl]-N-ethyl-5-iodopyrimidin-4-amine
CID 66304350
N-[(3-bromophenyl)methyl]-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320817
2-[(3-bromophenyl)sulfanylmethyl]-4-chloro-5-fluoro-6-methylpyrimidine
CID 66143933

Frequently Asked Questions

What is the IUPAC name of 2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine (CID 66159639) is 2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is CNc1nc(CSc2cccc(Br)c2)nc2sc(C)cc12.
What is the InChIKey of 2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HHOCXURJYULATL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3S2/c1-9-6-12-14(17-2)18-13(19-15(12)21-9)8-20-11-5-3-4-10(16)7-11/h3-7H,8H2,1-2H3,(H,17,18,19).
What are the key properties of 2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine?
2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 380.34 g/mol, XLogP of 5.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-bromophenyl)sulfanylmethyl]-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 66159639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).