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

C15H14BrN3OS — CID 103333313

IUPAC4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(OCc2ccccc2Br)c2cc(C)sc2n1
InChIInChI=1S/C15H14BrN3OS/c1-9-7-11-13(18-15(17-2)19-14(11)21-9)20-8-10-5-3-4-6-12(10)16/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyMIWKWWYVLNJWIC-UHFFFAOYSA-N
MW364.27 g/mol
LogP4.38
Rot. Bonds4

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

4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (PubChem CID 103333313) has the molecular formula C15H14BrN3OS and a molecular weight of 364.27 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
PubChem CID103333313
Molecular FormulaC15H14BrN3OS
Molecular Weight364.27 g/mol
Exact Mass363.00
IUPAC Name4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
SMILESCNc1nc(OCc2ccccc2Br)c2cc(C)sc2n1
InChIInChI=1S/C15H14BrN3OS/c1-9-7-11-13(18-15(17-2)19-14(11)21-9)20-8-10-5-3-4-6-12(10)16/h3-7H,8H2,1-2H3,(H,17,18,19)
InChIKeyMIWKWWYVLNJWIC-UHFFFAOYSA-N
XLogP4.38
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.27
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3-chlorophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103332822
4-methoxy-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331394
(6-methyl-4-phenylmethoxythieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336044
N,6-dimethyl-4-pent-4-enoxythieno[2,3-d]pyrimidin-2-amine
CID 103332934
N,6-dimethyl-4-[(2-methylphenyl)methylsulfanyl]thieno[2,3-d]pyrimidin-2-amine
CID 103334872
4-[(2-bromophenyl)methoxy]-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 82807611
4-(4-chlorophenoxy)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103331812
N,6-dimethyl-4-(1,1,1-trifluoropropan-2-yloxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332952
4-[(2-bromophenyl)methoxy]-5-methyl-N-propylpyrimidin-2-amine
CID 82826084
6-ethyl-4-(furan-2-ylmethoxy)-N-methylthieno[2,3-d]pyrimidin-2-amine
CID 103331380
3-[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]oxybenzonitrile
CID 103331695
N,6-dimethyl-4-(oxan-4-yloxy)thieno[2,3-d]pyrimidin-2-amine
CID 103332150

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine (CID 103333313) is 4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is CNc1nc(OCc2ccccc2Br)c2cc(C)sc2n1.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
The InChIKey is MIWKWWYVLNJWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrN3OS/c1-9-7-11-13(18-15(17-2)19-14(11)21-9)20-8-10-5-3-4-6-12(10)16/h3-7H,8H2,1-2H3,(H,17,18,19).
What are the key properties of 4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine?
4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine has a molecular weight of 364.27 g/mol, XLogP of 4.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-bromophenyl)methoxy]-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine is sourced from PubChem (CID 103333313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).