N-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine

C14H10F3N3S — CID 107935507

IUPACN-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(F)c(F)c2F)nc2sccc12
InChIInChI=1S/C14H10F3N3S/c1-2-18-12-8-5-6-21-14(8)20-13(19-12)7-3-4-9(15)11(17)10(7)16/h3-6H,2H2,1H3,(H,18,19,20)
InChIKeyOTPCTAHXTJFQGA-UHFFFAOYSA-N
MW309.32 g/mol
LogP4.21
Rot. Bonds3

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

N-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 107935507) has the molecular formula C14H10F3N3S and a molecular weight of 309.32 g/mol. Its IUPAC name is N-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID107935507
Molecular FormulaC14H10F3N3S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC NameN-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc(F)c(F)c2F)nc2sccc12
InChIInChI=1S/C14H10F3N3S/c1-2-18-12-8-5-6-21-14(8)20-13(19-12)7-3-4-9(15)11(17)10(7)16/h3-6H,2H2,1H3,(H,18,19,20)
InChIKeyOTPCTAHXTJFQGA-UHFFFAOYSA-N
XLogP4.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 54.21
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

N-ethyl-2-phenylthieno[2,3-d]pyrimidin-4-amine
CID 62188842
2-(5-chloro-2-fluorophenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63487110
N-ethyl-2-pyridin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 55044626
N-ethyl-2-[(4-fluorophenoxy)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62193882
2-(4-bromo-2-fluorophenyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 114907043
2-cyclopropyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62188847
N-ethyl-2-(methoxymethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62194555
2-(5-chloro-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63618711
2-(4-methyl-3-pyridinyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 114878694
2-phenyl-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 13038355
2-(4-methylphenyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485547
2-(4-bromo-2-fluorophenyl)-N-ethyl-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 114907051

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine (CID 107935507) is N-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine is CCNc1nc(-c2ccc(F)c(F)c2F)nc2sccc12.
What is the InChIKey of N-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is OTPCTAHXTJFQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3S/c1-2-18-12-8-5-6-21-14(8)20-13(19-12)7-3-4-9(15)11(17)10(7)16/h3-6H,2H2,1H3,(H,18,19,20).
What are the key properties of N-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine?
N-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 309.32 g/mol, XLogP of 4.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-(2,3,4-trifluorophenyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 107935507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).