5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

C20H15BrClN3S — CID 21009282

IUPAC5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Cl)ccc1Nc1ncnc2sc(C)c(-c3ccc(Br)cc3)c12
InChIInChI=1S/C20H15BrClN3S/c1-11-9-15(22)7-8-16(11)25-19-18-17(13-3-5-14(21)6-4-13)12(2)26-20(18)24-10-23-19/h3-10H,1-2H3,(H,23,24,25)
InChIKeyIIJQPRIXDNAVOT-UHFFFAOYSA-N
MW444.79 g/mol
LogP7.13
Rot. Bonds3

About 5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine

5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 21009282) has the molecular formula C20H15BrClN3S and a molecular weight of 444.79 g/mol. Its IUPAC name is 5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID21009282
Molecular FormulaC20H15BrClN3S
Molecular Weight444.79 g/mol
Exact Mass442.99
IUPAC Name5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Cl)ccc1Nc1ncnc2sc(C)c(-c3ccc(Br)cc3)c12
InChIInChI=1S/C20H15BrClN3S/c1-11-9-15(22)7-8-16(11)25-19-18-17(13-3-5-14(21)6-4-13)12(2)26-20(18)24-10-23-19/h3-10H,1-2H3,(H,23,24,25)
InChIKeyIIJQPRIXDNAVOT-UHFFFAOYSA-N
XLogP7.13
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500444.79
LogP ≤ 57.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009655
N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009771
2-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]-5-methylphenol
CID 21010275
5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009851
4-chloro-2-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011500
5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009828
N-(2,5-dimethylphenyl)-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009656
N-(2-chloro-4,6-dimethylphenyl)-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 110659942
N-[3-[[5-(4-bromophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]phenyl]acetamide
CID 21011874
N-(5-chloro-2-methoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21011598
N-(4-chloro-2-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 15994565
5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010083

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 21009282) is 5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1cc(Cl)ccc1Nc1ncnc2sc(C)c(-c3ccc(Br)cc3)c12.
What is the InChIKey of 5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is IIJQPRIXDNAVOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15BrClN3S/c1-11-9-15(22)7-8-16(11)25-19-18-17(13-3-5-14(21)6-4-13)12(2)26-20(18)24-10-23-19/h3-10H,1-2H3,(H,23,24,25).
What are the key properties of 5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 444.79 g/mol, XLogP of 7.13, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21009282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).