6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-(3-phenylpropylamino)pyrido[2,3-d]pyrimidine-2,4-dione

C26H28FN5O3 — CID 25115525

IUPAC6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-(3-phenylpropylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(F)cc1-c1c(CN)c(NCCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C26H28FN5O3/c1-31-24-22(25(33)32(2)26(31)34)21(18-14-17(27)11-12-20(18)35-3)19(15-28)23(30-24)29-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,7,10,13,15,28H2,1-3H3,(H,29,30)
InChIKeyDVCQMSPBQAWYPJ-UHFFFAOYSA-N
MW477.54 g/mol
LogP2.95
Rot. Bonds8

About 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-(3-phenylpropylamino)pyrido[2,3-d]pyrimidine-2,4-dione

6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-(3-phenylpropylamino)pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 25115525) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-(3-phenylpropylamino)pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-(3-phenylpropylamino)pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID25115525
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC Name6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-(3-phenylpropylamino)pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(F)cc1-c1c(CN)c(NCCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C26H28FN5O3/c1-31-24-22(25(33)32(2)26(31)34)21(18-14-17(27)11-12-20(18)35-3)19(15-28)23(30-24)29-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,7,10,13,15,28H2,1-3H3,(H,29,30)
InChIKeyDVCQMSPBQAWYPJ-UHFFFAOYSA-N
XLogP2.95
TPSA104.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-[[2-(trifluoromethyl)phenyl]methylamino]pyrido[2,3-d]pyrimidine-2,4-dione
CID 25115295
6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-(methylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 11589872
6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-7-(2,2-difluoroethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione;ethane
CID 145486688
6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-[(4-methylpiperazin-1-yl)methylamino]pyrido[2,3-d]pyrimidine-2,4-dione
CID 59353149
6-(aminomethyl)-5-(2,5-dipropoxyphenyl)-1,3-dimethyl-7-(naphthalen-2-ylmethylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 59353123
6-(aminomethyl)-5-(2-bromo-5-methylphenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 143186324
6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione
CID 25115298
7-(2-methoxyphenyl)-1,3-dimethyl-5-(pyridin-3-ylmethylsulfanyl)pyrimido[4,5-d]pyrimidine-2,4-dione
CID 16832487
N-[2-(2-methoxyphenyl)ethyl]-1,3,7-trimethyl-2,4-dioxopyrido[2,3-d]pyrimidine-5-carboxamide
CID 53085401
6-(4-fluorophenoxy)-8-methyl-2-(2-phenylethylamino)pyrido[2,3-d]pyrimidin-7-one
CID 20626976
7-(2-methoxyphenyl)-1,3-dimethyl-5-[(E)-3-phenylprop-2-enyl]sulfanylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 18561728
6-(benzylamino)-5-(2-methoxyphenyl)-1,3-dimethylfuro[2,3-d]pyrimidine-2,4-dione
CID 71945914

Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-(3-phenylpropylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-(3-phenylpropylamino)pyrido[2,3-d]pyrimidine-2,4-dione (CID 25115525) is 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-(3-phenylpropylamino)pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-(3-phenylpropylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-(3-phenylpropylamino)pyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(F)cc1-c1c(CN)c(NCCCc2ccccc2)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-(3-phenylpropylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is DVCQMSPBQAWYPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-31-24-22(25(33)32(2)26(31)34)21(18-14-17(27)11-12-20(18)35-3)19(15-28)23(30-24)29-13-7-10-16-8-5-4-6-9-16/h4-6,8-9,11-12,14H,7,10,13,15,28H2,1-3H3,(H,29,30).
What are the key properties of 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-(3-phenylpropylamino)pyrido[2,3-d]pyrimidine-2,4-dione?
6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-(3-phenylpropylamino)pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 477.54 g/mol, XLogP of 2.95, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-7-(3-phenylpropylamino)pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 25115525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).