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

C19H16FN5OS — CID 69317181

IUPAC[4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-(1,3-thiazol-2-yl)methanamine
SMILESCCOc1nc(C(N)c2nccs2)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C19H16FN5OS/c1-2-26-18-16-14(24-17(25-18)15(21)19-22-9-10-27-19)8-7-13(23-16)11-3-5-12(20)6-4-11/h3-10,15H,2,21H2,1H3
InChIKeyZVMIGXXNEUOSGF-UHFFFAOYSA-N
MW381.44 g/mol
LogP3.73
Rot. Bonds5

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

[4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-(1,3-thiazol-2-yl)methanamine (PubChem CID 69317181) has the molecular formula C19H16FN5OS and a molecular weight of 381.44 g/mol. Its IUPAC name is [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-(1,3-thiazol-2-yl)methanamine.

Molecular Properties

Compound Name[4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-(1,3-thiazol-2-yl)methanamine
PubChem CID69317181
Molecular FormulaC19H16FN5OS
Molecular Weight381.44 g/mol
Exact Mass381.11
IUPAC Name[4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-(1,3-thiazol-2-yl)methanamine
SMILESCCOc1nc(C(N)c2nccs2)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C19H16FN5OS/c1-2-26-18-16-14(24-17(25-18)15(21)19-22-9-10-27-19)8-7-13(23-16)11-3-5-12(20)6-4-11/h3-10,15H,2,21H2,1H3
InChIKeyZVMIGXXNEUOSGF-UHFFFAOYSA-N
XLogP3.73
TPSA86.81 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-(1,3-thiazol-2-yl)methanamine?
The IUPAC name of [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-(1,3-thiazol-2-yl)methanamine (CID 69317181) is [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-(1,3-thiazol-2-yl)methanamine.
What is the SMILES notation for [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-(1,3-thiazol-2-yl)methanamine?
The canonical SMILES for [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-(1,3-thiazol-2-yl)methanamine is CCOc1nc(C(N)c2nccs2)nc2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-(1,3-thiazol-2-yl)methanamine?
The InChIKey is ZVMIGXXNEUOSGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5OS/c1-2-26-18-16-14(24-17(25-18)15(21)19-22-9-10-27-19)8-7-13(23-16)11-3-5-12(20)6-4-11/h3-10,15H,2,21H2,1H3.
What are the key properties of [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-(1,3-thiazol-2-yl)methanamine?
[4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-(1,3-thiazol-2-yl)methanamine has a molecular weight of 381.44 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-ethoxy-6-(4-fluorophenyl)pyrido[3,2-d]pyrimidin-2-yl]-(1,3-thiazol-2-yl)methanamine is sourced from PubChem (CID 69317181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).