6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione

C27H24FN5O2 — CID 25115298

IUPAC6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCN(c1ccc2ccccc2c1)c1nc2c(c(-c3cccc(F)c3)c1CN)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C27H24FN5O2/c1-31(20-12-11-16-7-4-5-8-17(16)14-20)24-21(15-29)22(18-9-6-10-19(28)13-18)23-25(30-24)32(2)27(35)33(3)26(23)34/h4-14H,15,29H2,1-3H3
InChIKeySWDKAAHPJLSVKV-UHFFFAOYSA-N
MW469.52 g/mol
LogP3.82
Rot. Bonds4

About 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione

6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 25115298) has the molecular formula C27H24FN5O2 and a molecular weight of 469.52 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID25115298
Molecular FormulaC27H24FN5O2
Molecular Weight469.52 g/mol
Exact Mass469.19
IUPAC Name6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCN(c1ccc2ccccc2c1)c1nc2c(c(-c3cccc(F)c3)c1CN)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C27H24FN5O2/c1-31(20-12-11-16-7-4-5-8-17(16)14-20)24-21(15-29)22(18-9-6-10-19(28)13-18)23-25(30-24)32(2)27(35)33(3)26(23)34/h4-14H,15,29H2,1-3H3
InChIKeySWDKAAHPJLSVKV-UHFFFAOYSA-N
XLogP3.82
TPSA86.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.52
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione (CID 25115298) is 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione is CN(c1ccc2ccccc2c1)c1nc2c(c(-c3cccc(F)c3)c1CN)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is SWDKAAHPJLSVKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN5O2/c1-31(20-12-11-16-7-4-5-8-17(16)14-20)24-21(15-29)22(18-9-6-10-19(28)13-18)23-25(30-24)32(2)27(35)33(3)26(23)34/h4-14H,15,29H2,1-3H3.
What are the key properties of 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione?
6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 469.52 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(3-fluorophenyl)-1,3-dimethyl-7-[methyl(naphthalen-2-yl)amino]pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 25115298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).