6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

C20H17FN4S — CID 18459992

IUPAC6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ccc(F)cc3)nc(-c3ccccn3)nc2s1
InChIInChI=1S/C20H17FN4S/c1-2-15-11-16-18(23-12-13-6-8-14(21)9-7-13)24-19(25-20(16)26-15)17-5-3-4-10-22-17/h3-11H,2,12H2,1H3,(H,23,24,25)
InChIKeyCJMJDTSECXBALX-UHFFFAOYSA-N
MW364.45 g/mol
LogP5.07
Rot. Bonds5

About 6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine

6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 18459992) has the molecular formula C20H17FN4S and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
PubChem CID18459992
Molecular FormulaC20H17FN4S
Molecular Weight364.45 g/mol
Exact Mass364.12
IUPAC Name6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NCc3ccc(F)cc3)nc(-c3ccccn3)nc2s1
InChIInChI=1S/C20H17FN4S/c1-2-15-11-16-18(23-12-13-6-8-14(21)9-7-13)24-19(25-20(16)26-15)17-5-3-4-10-22-17/h3-11H,2,12H2,1H3,(H,23,24,25)
InChIKeyCJMJDTSECXBALX-UHFFFAOYSA-N
XLogP5.07
TPSA50.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.45
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

Ddp-225
CID 6918194
1,3-Benzothiazol-2-yl(2-((2-(3-pyridinyl)ethyl)amino)-4-pyrimidinyl)acetonitrile
CID 10109823
Ulecaciclib
CID 126535127
2-(4-Chloro-5-phenylthieno(2,3-d)pyrimidin-2-yl)pyridine
CID 2535143
7,9-Dimethylpyrido[3',2':4,5]thieno[3,2-d]pyrimidin-4-amine
CID 695484
Pyridothieno[3,2-d]pyrimidine deriv. 74
CID 5328422
Pyridothieno[3,2-d]pyrimidine deriv. 75
CID 5328423
Thienopyrimidine deriv. 82
CID 6540015
Thienopyrimidine deriv. 83
CID 6540016
Ikk-IN-3
CID 10215156
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine (CID 18459992) is 6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NCc3ccc(F)cc3)nc(-c3ccccn3)nc2s1.
What is the InChIKey of 6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is CJMJDTSECXBALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4S/c1-2-15-11-16-18(23-12-13-6-8-14(21)9-7-13)24-19(25-20(16)26-15)17-5-3-4-10-22-17/h3-11H,2,12H2,1H3,(H,23,24,25).
What are the key properties of 6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine?
6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 364.45 g/mol, XLogP of 5.07, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-[(4-fluorophenyl)methyl]-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 18459992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).