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

C16H15BrFN5O2 — CID 11640120

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC7-amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3cc(F)ccc3Br)c(CN)c(N)nc2n(C)c1=O
InChIInChI=1S/C16H15BrFN5O2/c1-22-14-12(15(24)23(2)16(22)25)11(9(6-19)13(20)21-14)8-5-7(18)3-4-10(8)17/h3-5H,6,19H2,1-2H3,(H2,20,21)
InChIKeyPBOZNYRGRFQUIM-UHFFFAOYSA-N
MW408.23 g/mol
LogP1.24
Rot. Bonds2

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

7-amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 11640120) has the molecular formula C16H15BrFN5O2 and a molecular weight of 408.23 g/mol. Its IUPAC name is 7-amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID11640120
Molecular FormulaC16H15BrFN5O2
Molecular Weight408.23 g/mol
Exact Mass407.04
IUPAC Name7-amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCn1c(=O)c2c(-c3cc(F)ccc3Br)c(CN)c(N)nc2n(C)c1=O
InChIInChI=1S/C16H15BrFN5O2/c1-22-14-12(15(24)23(2)16(22)25)11(9(6-19)13(20)21-14)8-5-7(18)3-4-10(8)17/h3-5H,6,19H2,1-2H3,(H2,20,21)
InChIKeyPBOZNYRGRFQUIM-UHFFFAOYSA-N
XLogP1.24
TPSA108.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.23
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 11640120) is 7-amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is Cn1c(=O)c2c(-c3cc(F)ccc3Br)c(CN)c(N)nc2n(C)c1=O.
What is the InChIKey of 7-amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is PBOZNYRGRFQUIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15BrFN5O2/c1-22-14-12(15(24)23(2)16(22)25)11(9(6-19)13(20)21-14)8-5-7(18)3-4-10(8)17/h3-5H,6,19H2,1-2H3,(H2,20,21).
What are the key properties of 7-amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-amino-6-(aminomethyl)-5-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 408.23 g/mol, XLogP of 1.24, 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-(2-bromo-5-fluorophenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11640120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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