5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazol-2-amine

C19H17FN6OS — CID 24962564

IUPAC5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazol-2-amine
SMILESCCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3cnc(N)s3)nc12
InChIInChI=1S/C19H17FN6OS/c1-2-27-17-16-14(8-7-13(24-16)15-10-22-18(21)28-15)25-19(26-17)23-9-11-3-5-12(20)6-4-11/h3-8,10H,2,9H2,1H3,(H2,21,22)(H,23,25,26)
InChIKeyAIROWSQCDZASPD-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.88
Rot. Bonds6

About 5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazol-2-amine

5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazol-2-amine (PubChem CID 24962564) has the molecular formula C19H17FN6OS and a molecular weight of 396.45 g/mol. Its IUPAC name is 5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazol-2-amine
PubChem CID24962564
Molecular FormulaC19H17FN6OS
Molecular Weight396.45 g/mol
Exact Mass396.12
IUPAC Name5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazol-2-amine
SMILESCCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3cnc(N)s3)nc12
InChIInChI=1S/C19H17FN6OS/c1-2-27-17-16-14(8-7-13(24-16)15-10-22-18(21)28-15)25-19(26-17)23-9-11-3-5-12(20)6-4-11/h3-8,10H,2,9H2,1H3,(H2,21,22)(H,23,25,26)
InChIKeyAIROWSQCDZASPD-UHFFFAOYSA-N
XLogP3.88
TPSA98.84 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazol-2-amine?
The IUPAC name of 5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazol-2-amine (CID 24962564) is 5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazol-2-amine?
The canonical SMILES for 5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazol-2-amine is CCOc1nc(NCc2ccc(F)cc2)nc2ccc(-c3cnc(N)s3)nc12.
What is the InChIKey of 5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazol-2-amine?
The InChIKey is AIROWSQCDZASPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN6OS/c1-2-27-17-16-14(8-7-13(24-16)15-10-22-18(21)28-15)25-19(26-17)23-9-11-3-5-12(20)6-4-11/h3-8,10H,2,9H2,1H3,(H2,21,22)(H,23,25,26).
What are the key properties of 5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazol-2-amine?
5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazol-2-amine has a molecular weight of 396.45 g/mol, XLogP of 3.88, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-ethoxy-2-[(4-fluorophenyl)methylamino]pyrido[3,2-d]pyrimidin-6-yl]-1,3-thiazol-2-amine is sourced from PubChem (CID 24962564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).