2-[1-(4-fluorophenyl)ethyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine

C19H18FN5S — CID 66635329

IUPAC2-[1-(4-fluorophenyl)ethyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(C(C)c3ccc(F)cc3)nc3scc(C)c23)n[nH]1
InChIInChI=1S/C19H18FN5S/c1-10-9-26-19-16(10)18(21-15-8-11(2)24-25-15)22-17(23-19)12(3)13-4-6-14(20)7-5-13/h4-9,12H,1-3H3,(H2,21,22,23,24,25)
InChIKeyJNFLLRRYODLXRD-UHFFFAOYSA-N
MW367.45 g/mol
LogP5.07
Rot. Bonds4

About 2-[1-(4-fluorophenyl)ethyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine

2-[1-(4-fluorophenyl)ethyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 66635329) has the molecular formula C19H18FN5S and a molecular weight of 367.45 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)ethyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)ethyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID66635329
Molecular FormulaC19H18FN5S
Molecular Weight367.45 g/mol
Exact Mass367.13
IUPAC Name2-[1-(4-fluorophenyl)ethyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc(Nc2nc(C(C)c3ccc(F)cc3)nc3scc(C)c23)n[nH]1
InChIInChI=1S/C19H18FN5S/c1-10-9-26-19-16(10)18(21-15-8-11(2)24-25-15)22-17(23-19)12(3)13-4-6-14(20)7-5-13/h4-9,12H,1-3H3,(H2,21,22,23,24,25)
InChIKeyJNFLLRRYODLXRD-UHFFFAOYSA-N
XLogP5.07
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.45
LogP ≤ 55.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)ethyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-[1-(4-fluorophenyl)ethyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 66635329) is 2-[1-(4-fluorophenyl)ethyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-[1-(4-fluorophenyl)ethyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-[1-(4-fluorophenyl)ethyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc(Nc2nc(C(C)c3ccc(F)cc3)nc3scc(C)c23)n[nH]1.
What is the InChIKey of 2-[1-(4-fluorophenyl)ethyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JNFLLRRYODLXRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN5S/c1-10-9-26-19-16(10)18(21-15-8-11(2)24-25-15)22-17(23-19)12(3)13-4-6-14(20)7-5-13/h4-9,12H,1-3H3,(H2,21,22,23,24,25).
What are the key properties of 2-[1-(4-fluorophenyl)ethyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine?
2-[1-(4-fluorophenyl)ethyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 367.45 g/mol, XLogP of 5.07, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)ethyl]-5-methyl-N-(5-methyl-1H-pyrazol-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 66635329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).