N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]thieno[2,3-d]pyrimidin-4-amine

C16H10BrN5OS — CID 133385254

IUPACN-[3-(5-bromopyrimidin-2-yl)oxyphenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESBrc1cnc(Oc2cccc(Nc3ncnc4sccc34)c2)nc1
InChIInChI=1S/C16H10BrN5OS/c17-10-7-18-16(19-8-10)23-12-3-1-2-11(6-12)22-14-13-4-5-24-15(13)21-9-20-14/h1-9H,(H,20,21,22)
InChIKeyASQHXUZETBEKGG-UHFFFAOYSA-N
MW400.26 g/mol
LogP4.78
Rot. Bonds4

About N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]thieno[2,3-d]pyrimidin-4-amine

N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 133385254) has the molecular formula C16H10BrN5OS and a molecular weight of 400.26 g/mol. Its IUPAC name is N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(5-bromopyrimidin-2-yl)oxyphenyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID133385254
Molecular FormulaC16H10BrN5OS
Molecular Weight400.26 g/mol
Exact Mass398.98
IUPAC NameN-[3-(5-bromopyrimidin-2-yl)oxyphenyl]thieno[2,3-d]pyrimidin-4-amine
SMILESBrc1cnc(Oc2cccc(Nc3ncnc4sccc34)c2)nc1
InChIInChI=1S/C16H10BrN5OS/c17-10-7-18-16(19-8-10)23-12-3-1-2-11(6-12)22-14-13-4-5-24-15(13)21-9-20-14/h1-9H,(H,20,21,22)
InChIKeyASQHXUZETBEKGG-UHFFFAOYSA-N
XLogP4.78
TPSA72.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.26
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-naphthalen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 2495547
3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
CID 4782547
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
3-(5-bromopyrimidin-2-yl)oxy-N-prop-2-enylaniline
CID 122135370
N-(6-benzyl-3-pyridinyl)thieno[2,3-d]pyrimidin-4-amine
CID 91319173
N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-4-methyl-5-nitropyridin-2-amine
CID 133385249
N-(2,3-dimethylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 8934299
methyl 4-(thieno[2,3-d]pyrimidin-4-ylamino)benzoate
CID 2453988
2-[[3-(thieno[2,3-d]pyrimidin-4-ylamino)phenyl]sulfonylamino]benzoic acid
CID 4840097
N-(furan-2-ylmethyl)-3-(thieno[2,3-d]pyrimidin-4-ylamino)benzenesulfonamide
CID 4779851
N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]-3,5-dimethylthiophene-2-sulfonamide
CID 154840457
6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 90989523

Frequently Asked Questions

What is the IUPAC name of N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]thieno[2,3-d]pyrimidin-4-amine (CID 133385254) is N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]thieno[2,3-d]pyrimidin-4-amine is Brc1cnc(Oc2cccc(Nc3ncnc4sccc34)c2)nc1.
What is the InChIKey of N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ASQHXUZETBEKGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10BrN5OS/c17-10-7-18-16(19-8-10)23-12-3-1-2-11(6-12)22-14-13-4-5-24-15(13)21-9-20-14/h1-9H,(H,20,21,22).
What are the key properties of N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]thieno[2,3-d]pyrimidin-4-amine?
N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 400.26 g/mol, XLogP of 4.78, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(5-bromopyrimidin-2-yl)oxyphenyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 133385254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).