4-ethoxy-6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine

C20H17FN4OS — CID 59767240

IUPAC4-ethoxy-6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCCOc1nc(NCc2cccs2)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C20H17FN4OS/c1-2-26-19-18-17(24-20(25-19)22-12-15-4-3-11-27-15)10-9-16(23-18)13-5-7-14(21)8-6-13/h3-11H,2,12H2,1H3,(H,22,24,25)
InChIKeySRUAFXKMSABGGN-UHFFFAOYSA-N
MW380.45 g/mol
LogP4.90
Rot. Bonds6

About 4-ethoxy-6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine

4-ethoxy-6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine (PubChem CID 59767240) has the molecular formula C20H17FN4OS and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-ethoxy-6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine.

Molecular Properties

Compound Name4-ethoxy-6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine
PubChem CID59767240
Molecular FormulaC20H17FN4OS
Molecular Weight380.45 g/mol
Exact Mass380.11
IUPAC Name4-ethoxy-6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine
SMILESCCOc1nc(NCc2cccs2)nc2ccc(-c3ccc(F)cc3)nc12
InChIInChI=1S/C20H17FN4OS/c1-2-26-19-18-17(24-20(25-19)22-12-15-4-3-11-27-15)10-9-16(23-18)13-5-7-14(21)8-6-13/h3-11H,2,12H2,1H3,(H,22,24,25)
InChIKeySRUAFXKMSABGGN-UHFFFAOYSA-N
XLogP4.90
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine?
The IUPAC name of 4-ethoxy-6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine (CID 59767240) is 4-ethoxy-6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine.
What is the SMILES notation for 4-ethoxy-6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine?
The canonical SMILES for 4-ethoxy-6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine is CCOc1nc(NCc2cccs2)nc2ccc(-c3ccc(F)cc3)nc12.
What is the InChIKey of 4-ethoxy-6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine?
The InChIKey is SRUAFXKMSABGGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4OS/c1-2-26-19-18-17(24-20(25-19)22-12-15-4-3-11-27-15)10-9-16(23-18)13-5-7-14(21)8-6-13/h3-11H,2,12H2,1H3,(H,22,24,25).
What are the key properties of 4-ethoxy-6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine?
4-ethoxy-6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine has a molecular weight of 380.45 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(4-fluorophenyl)-N-(thiophen-2-ylmethyl)pyrido[3,2-d]pyrimidin-2-amine is sourced from PubChem (CID 59767240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).