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

C19H13ClFN3S — CID 21009828

IUPAC5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccccc3F)c2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClFN3S/c1-11-16(12-6-8-13(20)9-7-12)17-18(22-10-23-19(17)25-11)24-15-5-3-2-4-14(15)21/h2-10H,1H3,(H,22,23,24)
InChIKeyCAACPBMXJMKSQD-UHFFFAOYSA-N
MW369.85 g/mol
LogP6.20
Rot. Bonds3

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

5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 21009828) has the molecular formula C19H13ClFN3S and a molecular weight of 369.85 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID21009828
Molecular FormulaC19H13ClFN3S
Molecular Weight369.85 g/mol
Exact Mass369.05
IUPAC Name5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2ncnc(Nc3ccccc3F)c2c1-c1ccc(Cl)cc1
InChIInChI=1S/C19H13ClFN3S/c1-11-16(12-6-8-13(20)9-7-12)17-18(22-10-23-19(17)25-11)24-15-5-3-2-4-14(15)21/h2-10H,1H3,(H,22,23,24)
InChIKeyCAACPBMXJMKSQD-UHFFFAOYSA-N
XLogP6.20
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.85
LogP ≤ 56.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-chlorophenyl)-N-(3-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010083
N-(5-chloro-2-methylphenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009771
5-(4-chlorophenyl)-N-(3,5-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009851
2-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011484
4-chloro-2-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]phenol
CID 21011500
5-(4-fluorophenyl)-6-methyl-N-(2-phenoxyphenyl)thieno[2,3-d]pyrimidin-4-amine
CID 28695595
N-(2,6-dichlorophenyl)-5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 28695559
5-(4-bromophenyl)-N-(4-chloro-2-methylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21009282
1-[[5-(4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]amino]anthracene-9,10-dione
CID 28695419
5-(4-chlorophenyl)-N-(3-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010171
5-(4-chlorophenyl)-N-[4-chloro-3-(trifluoromethyl)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 21010002
1-[[6-methyl-5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]amino]anthracene-9,10-dione
CID 28695438

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 21009828) is 5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is Cc1sc2ncnc(Nc3ccccc3F)c2c1-c1ccc(Cl)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CAACPBMXJMKSQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13ClFN3S/c1-11-16(12-6-8-13(20)9-7-12)17-18(22-10-23-19(17)25-11)24-15-5-3-2-4-14(15)21/h2-10H,1H3,(H,22,23,24).
What are the key properties of 5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine?
5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 369.85 g/mol, XLogP of 6.20, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-N-(2-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 21009828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).