2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine

C13H7ClF3N3S — CID 103320354

IUPAC2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3ccc(F)c(F)c3F)nc(Cl)nc2s1
InChIInChI=1S/C13H7ClF3N3S/c1-5-4-6-11(19-13(14)20-12(6)21-5)18-8-3-2-7(15)9(16)10(8)17/h2-4H,1H3,(H,18,19,20)
InChIKeyZMZPOXYRTPQZAV-UHFFFAOYSA-N
MW329.73 g/mol
LogP4.81
Rot. Bonds2

About 2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine

2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103320354) has the molecular formula C13H7ClF3N3S and a molecular weight of 329.73 g/mol. Its IUPAC name is 2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103320354
Molecular FormulaC13H7ClF3N3S
Molecular Weight329.73 g/mol
Exact Mass329.00
IUPAC Name2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(Nc3ccc(F)c(F)c3F)nc(Cl)nc2s1
InChIInChI=1S/C13H7ClF3N3S/c1-5-4-6-11(19-13(14)20-12(6)21-5)18-8-3-2-7(15)9(16)10(8)17/h2-4H,1H3,(H,18,19,20)
InChIKeyZMZPOXYRTPQZAV-UHFFFAOYSA-N
XLogP4.81
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.73
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(2-chloro-4-fluorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320288
2-chloro-6-methyl-N-naphthalen-1-ylthieno[2,3-d]pyrimidin-4-amine
CID 82066002
3-chloro-4-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]benzonitrile
CID 107809560
N-(5-bromo-2-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103320740
5-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]naphthalen-1-ol
CID 82065977
2-chloro-N-(3,4-dichlorophenyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 82065955
2-chloro-N-[(3,4-difluorophenyl)methyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103321095
2-chloro-6-methyl-N-quinolin-8-ylthieno[2,3-d]pyrimidin-4-amine
CID 82065968
4-N-(2-chloro-5-fluorophenyl)-6-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 107531844
3-[(2-chloro-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]phenol
CID 82065960
N-(3-bromo-5-methylphenyl)-2-chloro-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 107576916
N-(2,5-dichlorophenyl)-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334287

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 103320354) is 2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(Nc3ccc(F)c(F)c3F)nc(Cl)nc2s1.
What is the InChIKey of 2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is ZMZPOXYRTPQZAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF3N3S/c1-5-4-6-11(19-13(14)20-12(6)21-5)18-8-3-2-7(15)9(16)10(8)17/h2-4H,1H3,(H,18,19,20).
What are the key properties of 2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 329.73 g/mol, XLogP of 4.81, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-N-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103320354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).