7-amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

C16H16FN5O2 — CID 11508177

IUPAC7-amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccc(F)cc3)c(CN)c(N)nc2n(C)c1=O
InChIInChI=1S/C16H16FN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(10(7-18)13(19)20-14)8-3-5-9(17)6-4-8/h3-6H,7,18H2,1-2H3,(H2,19,20)
InChIKeyCHZHICHLKIKQNV-UHFFFAOYSA-N
MW329.34 g/mol
LogP0.48
Rot. Bonds2

About 7-amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione

7-amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 11508177) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is 7-amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID11508177
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC Name7-amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3ccc(F)cc3)c(CN)c(N)nc2n(C)c1=O
InChIInChI=1S/C16H16FN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(10(7-18)13(19)20-14)8-3-5-9(17)6-4-8/h3-6H,7,18H2,1-2H3,(H2,19,20)
InChIKeyCHZHICHLKIKQNV-UHFFFAOYSA-N
XLogP0.48
TPSA108.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 50.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

7-Amino-6-(Aminomethyl)-5-(2-Bromophenyl)-1,3-Dimethylpyrido[2,3-D]pyrimidine-2,4(1h,3h)-Dione
CID 11632502
1,3-dimethyl-8-phenyl-8,9-dihydropyrimido[4,5-b]quinoline-2,4,6(1H,3H,7H)-trione
CID 4891701
3,6-Dibenzyl-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 10066905
3-Benzyl-5-(4-fluorophenyl)-1-methylpyrido[2,3-d]pyrimidine-2,4-dione
CID 10451222
7-Amino-6-(aminomethyl)-5-(2-chloro-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11516085
7-Amino-6-(aminomethyl)-1,3-dimethyl-5-phenylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11529688
7-Amino-6-(aminomethyl)-5-(2,3-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11531002
2-[7-Amino-6-(aminomethyl)-1,3-dimethyl-2,4-dioxopyrido[2,3-d]pyrimidin-5-yl]benzonitrile
CID 11544575
6-(Aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 11547698
7-Amino-6-(aminomethyl)-5-(2,4-dichlorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11581694
7-Amino-6-(aminomethyl)-5-(4-bromophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11581890
6-(Aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethyl-7-(methylamino)pyrido[2,3-d]pyrimidine-2,4-dione
CID 11589872

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 11508177) is 7-amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3ccc(F)cc3)c(CN)c(N)nc2n(C)c1=O.
What is the InChIKey of 7-amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CHZHICHLKIKQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-21-14-12(15(23)22(2)16(21)24)11(10(7-18)13(19)20-14)8-3-5-9(17)6-4-8/h3-6H,7,18H2,1-2H3,(H2,19,20).
What are the key properties of 7-amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 329.34 g/mol, XLogP of 0.48, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(aminomethyl)-5-(4-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11508177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).