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

C14H12BrN3S2 — CID 103334827

IUPAC4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2cccc(Br)c2)c2cc(C)sc2n1
InChIInChI=1S/C14H12BrN3S2/c1-8-6-11-12(19-8)17-14(16-2)18-13(11)20-10-5-3-4-9(15)7-10/h3-7H,1-2H3,(H,16,17,18)
InChIKeyVVKDMIHOSKRPPZ-UHFFFAOYSA-N
MW366.31 g/mol
LogP4.96
Rot. Bonds3

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

4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103334827) has the molecular formula C14H12BrN3S2 and a molecular weight of 366.31 g/mol. Its IUPAC name is 4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103334827
Molecular FormulaC14H12BrN3S2
Molecular Weight366.31 g/mol
Exact Mass364.97
IUPAC Name4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(Sc2cccc(Br)c2)c2cc(C)sc2n1
InChIInChI=1S/C14H12BrN3S2/c1-8-6-11-12(19-8)17-14(16-2)18-13(11)20-10-5-3-4-9(15)7-10/h3-7H,1-2H3,(H,16,17,18)
InChIKeyVVKDMIHOSKRPPZ-UHFFFAOYSA-N
XLogP4.96
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.31
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (CID 103334827) is 4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(Sc2cccc(Br)c2)c2cc(C)sc2n1.
What is the InChIKey of 4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is VVKDMIHOSKRPPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3S2/c1-8-6-11-12(19-8)17-14(16-2)18-13(11)20-10-5-3-4-9(15)7-10/h3-7H,1-2H3,(H,16,17,18).
What are the key properties of 4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 366.31 g/mol, XLogP of 4.96, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)sulfanyl-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103334827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).