7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethyl-1-methyl-4H-pyrido[4,3-d]pyrimidin-2-one

C18H20F2N4O3 — CID 86300424

IUPAC7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethyl-1-methyl-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCCc1c(N)ncc2c1N(C)C(=O)N(c1c(F)c(OC)cc(OC)c1F)C2
InChIInChI=1S/C18H20F2N4O3/c1-5-10-15-9(7-22-17(10)21)8-24(18(25)23(15)2)16-13(19)11(26-3)6-12(27-4)14(16)20/h6-7H,5,8H2,1-4H3,(H2,21,22)
InChIKeyWORXVHLKINLMRW-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.10
Rot. Bonds4

About 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethyl-1-methyl-4H-pyrido[4,3-d]pyrimidin-2-one

7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethyl-1-methyl-4H-pyrido[4,3-d]pyrimidin-2-one (PubChem CID 86300424) has the molecular formula C18H20F2N4O3 and a molecular weight of 378.38 g/mol. Its IUPAC name is 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethyl-1-methyl-4H-pyrido[4,3-d]pyrimidin-2-one.

Molecular Properties

Compound Name7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethyl-1-methyl-4H-pyrido[4,3-d]pyrimidin-2-one
PubChem CID86300424
Molecular FormulaC18H20F2N4O3
Molecular Weight378.38 g/mol
Exact Mass378.15
IUPAC Name7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethyl-1-methyl-4H-pyrido[4,3-d]pyrimidin-2-one
SMILESCCc1c(N)ncc2c1N(C)C(=O)N(c1c(F)c(OC)cc(OC)c1F)C2
InChIInChI=1S/C18H20F2N4O3/c1-5-10-15-9(7-22-17(10)21)8-24(18(25)23(15)2)16-13(19)11(26-3)6-12(27-4)14(16)20/h6-7H,5,8H2,1-4H3,(H2,21,22)
InChIKeyWORXVHLKINLMRW-UHFFFAOYSA-N
XLogP3.10
TPSA80.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethyl-1-methyl-4H-pyrido[4,3-d]pyrimidin-2-one?
The IUPAC name of 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethyl-1-methyl-4H-pyrido[4,3-d]pyrimidin-2-one (CID 86300424) is 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethyl-1-methyl-4H-pyrido[4,3-d]pyrimidin-2-one.
What is the SMILES notation for 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethyl-1-methyl-4H-pyrido[4,3-d]pyrimidin-2-one?
The canonical SMILES for 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethyl-1-methyl-4H-pyrido[4,3-d]pyrimidin-2-one is CCc1c(N)ncc2c1N(C)C(=O)N(c1c(F)c(OC)cc(OC)c1F)C2.
What is the InChIKey of 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethyl-1-methyl-4H-pyrido[4,3-d]pyrimidin-2-one?
The InChIKey is WORXVHLKINLMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O3/c1-5-10-15-9(7-22-17(10)21)8-24(18(25)23(15)2)16-13(19)11(26-3)6-12(27-4)14(16)20/h6-7H,5,8H2,1-4H3,(H2,21,22).
What are the key properties of 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethyl-1-methyl-4H-pyrido[4,3-d]pyrimidin-2-one?
7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethyl-1-methyl-4H-pyrido[4,3-d]pyrimidin-2-one has a molecular weight of 378.38 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-ethyl-1-methyl-4H-pyrido[4,3-d]pyrimidin-2-one is sourced from PubChem (CID 86300424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).