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

C20H15ClFN3S — CID 21009771

IUPACN-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Cl)cc1Nc1ncnc2sc(C)c(-c3ccc(F)cc3)c12
InChIInChI=1S/C20H15ClFN3S/c1-11-3-6-14(21)9-16(11)25-19-18-17(13-4-7-15(22)8-5-13)12(2)26-20(18)24-10-23-19/h3-10H,1-2H3,(H,23,24,25)
InChIKeyDMCIAIIKNFBSJN-UHFFFAOYSA-N
MW383.88 g/mol
LogP6.51
Rot. Bonds3

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

N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 21009771) has the molecular formula C20H15ClFN3S and a molecular weight of 383.88 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID21009771
Molecular FormulaC20H15ClFN3S
Molecular Weight383.88 g/mol
Exact Mass383.07
IUPAC NameN-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(Cl)cc1Nc1ncnc2sc(C)c(-c3ccc(F)cc3)c12
InChIInChI=1S/C20H15ClFN3S/c1-11-3-6-14(21)9-16(11)25-19-18-17(13-4-7-15(22)8-5-13)12(2)26-20(18)24-10-23-19/h3-10H,1-2H3,(H,23,24,25)
InChIKeyDMCIAIIKNFBSJN-UHFFFAOYSA-N
XLogP6.51
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500383.88
LogP ≤ 56.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011500
N-(2,5-dimethylphenyl)-6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 21009656
5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009828
5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009282
N-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 28695559
5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010083
5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009851
5-(4-bromophenyl)-N-(2,5-dimethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009655
N-(5-chloro-2-methoxyphenyl)-5-(4-ethoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21011598
5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695595
N-(4-tert-butylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21011069
1-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]anthracene-9,10-dione
CID 28695419

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 21009771) is N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1ccc(Cl)cc1Nc1ncnc2sc(C)c(-c3ccc(F)cc3)c12.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DMCIAIIKNFBSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3S/c1-11-3-6-14(21)9-16(11)25-19-18-17(13-4-7-15(22)8-5-13)12(2)26-20(18)24-10-23-19/h3-10H,1-2H3,(H,23,24,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 383.88 g/mol, XLogP of 6.51, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21009771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).