3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-methoxyethoxy)-1-methyl-2,4-dihydropyrido[4,3-d]pyrimidin-7-amine

C19H24F2N4O4 — CID 123613037

IUPAC3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-methoxyethoxy)-1-methyl-2,4-dihydropyrido[4,3-d]pyrimidin-7-amine
SMILESCOCCOc1c(N)ncc2c1N(C)CN(c1c(F)c(OC)cc(OC)c1F)C2
InChIInChI=1S/C19H24F2N4O4/c1-24-10-25(17-14(20)12(27-3)7-13(28-4)15(17)21)9-11-8-23-19(22)18(16(11)24)29-6-5-26-2/h7-8H,5-6,9-10H2,1-4H3,(H2,22,23)
InChIKeySLCJVWGYJIHCDH-UHFFFAOYSA-N
MW410.42 g/mol
LogP2.40
Rot. Bonds7

About 3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-methoxyethoxy)-1-methyl-2,4-dihydropyrido[4,3-d]pyrimidin-7-amine

3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-methoxyethoxy)-1-methyl-2,4-dihydropyrido[4,3-d]pyrimidin-7-amine (PubChem CID 123613037) has the molecular formula C19H24F2N4O4 and a molecular weight of 410.42 g/mol. Its IUPAC name is 3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-methoxyethoxy)-1-methyl-2,4-dihydropyrido[4,3-d]pyrimidin-7-amine.

Molecular Properties

Compound Name3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-methoxyethoxy)-1-methyl-2,4-dihydropyrido[4,3-d]pyrimidin-7-amine
PubChem CID123613037
Molecular FormulaC19H24F2N4O4
Molecular Weight410.42 g/mol
Exact Mass410.18
IUPAC Name3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-methoxyethoxy)-1-methyl-2,4-dihydropyrido[4,3-d]pyrimidin-7-amine
SMILESCOCCOc1c(N)ncc2c1N(C)CN(c1c(F)c(OC)cc(OC)c1F)C2
InChIInChI=1S/C19H24F2N4O4/c1-24-10-25(17-14(20)12(27-3)7-13(28-4)15(17)21)9-11-8-23-19(22)18(16(11)24)29-6-5-26-2/h7-8H,5-6,9-10H2,1-4H3,(H2,22,23)
InChIKeySLCJVWGYJIHCDH-UHFFFAOYSA-N
XLogP2.40
TPSA82.31 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

[5-(benzenesulfonyl)-11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-methyl-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-4-yl]-(1-methylpyrazol-4-yl)methanol
CID 172828766
2-[11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-methyl-12-oxo-4,5,7,11,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),2,5,7-tetraen-3-yl]acetaldehyde
CID 90051192
5-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyrazin-2-amine
CID 80651956
8-fluoro-6-methoxy-7-(2-methoxyethoxy)-2-[(2S)-2-methylpiperazin-1-yl]quinazolin-4-amine;hydrochloride
CID 121292405
7-chloro-3-(2,6-difluoro-3,5-dimethoxyphenyl)-1-ethyl-4H-pyrimido[4,5-d]pyrimidine-2-thione
CID 175859265
11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-methyl-4-(pyrazol-1-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
CID 90030766
11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-methyl-4-(piperidin-4-ylmethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
CID 86705668
11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-methyl-4-[(E)-2-pyridin-2-ylethenyl]-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
CID 86705704
3-bromo-11-(2,6-difluoro-3,5-dimethoxyphenyl)-13-methyl-5-(2-trimethylsilylethoxymethyl)-5,7,11,13-tetrazatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-12-one
CID 86705682
6-(cyclohexylamino)-2-(2,6-difluoro-3,5-dimethoxyphenyl)spiro[1H-2,7-naphthyridine-4,1'-cyclopropane]-3-one
CID 86301630
[4-(3-aminopropoxy)-3,5-dimethoxyphenyl]-(6-methyl-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl)methanone
CID 118787003
7-(2,6-difluoro-3,5-dimethoxyphenyl)-9,9-dimethyl-3,6-dihydropyrrolo[2,3-c][2,7]naphthyridin-8-one
CID 86705715

Frequently Asked Questions

What is the IUPAC name of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-methoxyethoxy)-1-methyl-2,4-dihydropyrido[4,3-d]pyrimidin-7-amine?
The IUPAC name of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-methoxyethoxy)-1-methyl-2,4-dihydropyrido[4,3-d]pyrimidin-7-amine (CID 123613037) is 3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-methoxyethoxy)-1-methyl-2,4-dihydropyrido[4,3-d]pyrimidin-7-amine.
What is the SMILES notation for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-methoxyethoxy)-1-methyl-2,4-dihydropyrido[4,3-d]pyrimidin-7-amine?
The canonical SMILES for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-methoxyethoxy)-1-methyl-2,4-dihydropyrido[4,3-d]pyrimidin-7-amine is COCCOc1c(N)ncc2c1N(C)CN(c1c(F)c(OC)cc(OC)c1F)C2.
What is the InChIKey of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-methoxyethoxy)-1-methyl-2,4-dihydropyrido[4,3-d]pyrimidin-7-amine?
The InChIKey is SLCJVWGYJIHCDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F2N4O4/c1-24-10-25(17-14(20)12(27-3)7-13(28-4)15(17)21)9-11-8-23-19(22)18(16(11)24)29-6-5-26-2/h7-8H,5-6,9-10H2,1-4H3,(H2,22,23).
What are the key properties of 3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-methoxyethoxy)-1-methyl-2,4-dihydropyrido[4,3-d]pyrimidin-7-amine?
3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-methoxyethoxy)-1-methyl-2,4-dihydropyrido[4,3-d]pyrimidin-7-amine has a molecular weight of 410.42 g/mol, XLogP of 2.40, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,6-difluoro-3,5-dimethoxyphenyl)-8-(2-methoxyethoxy)-1-methyl-2,4-dihydropyrido[4,3-d]pyrimidin-7-amine is sourced from PubChem (CID 123613037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).