N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

C18H12BrN3S — CID 21010054

IUPACN-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESBrc1cccc(Nc2ncnc3scc(-c4ccccc4)c23)c1
InChIInChI=1S/C18H12BrN3S/c19-13-7-4-8-14(9-13)22-17-16-15(12-5-2-1-3-6-12)10-23-18(16)21-11-20-17/h1-11H,(H,20,21,22)
InChIKeyZFTYEXQMCDSSOJ-UHFFFAOYSA-N
MW382.29 g/mol
LogP5.86
Rot. Bonds3

About N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine

N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 21010054) has the molecular formula C18H12BrN3S and a molecular weight of 382.29 g/mol. Its IUPAC name is N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
PubChem CID21010054
Molecular FormulaC18H12BrN3S
Molecular Weight382.29 g/mol
Exact Mass380.99
IUPAC NameN-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
SMILESBrc1cccc(Nc2ncnc3scc(-c4ccccc4)c23)c1
InChIInChI=1S/C18H12BrN3S/c19-13-7-4-8-14(9-13)22-17-16-15(12-5-2-1-3-6-12)10-23-18(16)21-11-20-17/h1-11H,(H,20,21,22)
InChIKeyZFTYEXQMCDSSOJ-UHFFFAOYSA-N
XLogP5.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.29
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]acetamide
CID 21011861
5-(4-bromophenyl)-N-[3-(trifluoromethyl)phenyl]thieno[2,3-d]pyrimidin-4-amine
CID 2241086
propan-2-yl 3-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]benzoate
CID 21012634
N-(3-chloro-4-fluorophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7574829
N-(3,4-dimethoxyphenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 7636536
5-(4-methylphenyl)-N-(3-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 2391301
3-[[5-(4-chlorophenyl)thieno[2,3-d]pyrimidin-4-yl]amino]benzoic acid
CID 20997842
5-phenyl-N-(3,4,5-trimethoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 26470392
5-phenyl-N-(2,4,6-trichlorophenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110659879
1-[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]ethanone
CID 21009510
2-N,2-N-dimethyl-5-N-(5-phenylthieno[2,3-d]pyrimidin-4-yl)pyridine-2,5-diamine
CID 17499231
[4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)amino]phenyl]arsonic acid
CID 112501316

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine (CID 21010054) is N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is Brc1cccc(Nc2ncnc3scc(-c4ccccc4)c23)c1.
What is the InChIKey of N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZFTYEXQMCDSSOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12BrN3S/c19-13-7-4-8-14(9-13)22-17-16-15(12-5-2-1-3-6-12)10-23-18(16)21-11-20-17/h1-11H,(H,20,21,22).
What are the key properties of N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine?
N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 382.29 g/mol, XLogP of 5.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-5-phenylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21010054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).