7-amino-6-(aminomethyl)-5-(5-fluoro-2-methylphenyl)-3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione

C16H16FN5O2 — CID 143186243

IUPAC7-amino-6-(aminomethyl)-5-(5-fluoro-2-methylphenyl)-3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(F)cc1-c1c(CN)c(N)nc2[nH]c(=O)n(C)c(=O)c12
InChIInChI=1S/C16H16FN5O2/c1-7-3-4-8(17)5-9(7)11-10(6-18)13(19)20-14-12(11)15(23)22(2)16(24)21-14/h3-5H,6,18H2,1-2H3,(H3,19,20,21,24)
InChIKeyODLRQMKZDVAWKO-UHFFFAOYSA-N
MW329.34 g/mol
LogP0.78
Rot. Bonds2

About 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methylphenyl)-3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione

7-amino-6-(aminomethyl)-5-(5-fluoro-2-methylphenyl)-3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 143186243) has the molecular formula C16H16FN5O2 and a molecular weight of 329.34 g/mol. Its IUPAC name is 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methylphenyl)-3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-6-(aminomethyl)-5-(5-fluoro-2-methylphenyl)-3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID143186243
Molecular FormulaC16H16FN5O2
Molecular Weight329.34 g/mol
Exact Mass329.13
IUPAC Name7-amino-6-(aminomethyl)-5-(5-fluoro-2-methylphenyl)-3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione
SMILESCc1ccc(F)cc1-c1c(CN)c(N)nc2[nH]c(=O)n(C)c(=O)c12
InChIInChI=1S/C16H16FN5O2/c1-7-3-4-8(17)5-9(7)11-10(6-18)13(19)20-14-12(11)15(23)22(2)16(24)21-14/h3-5H,6,18H2,1-2H3,(H3,19,20,21,24)
InChIKeyODLRQMKZDVAWKO-UHFFFAOYSA-N
XLogP0.78
TPSA119.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.34
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methylphenyl)-3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methylphenyl)-3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione (CID 143186243) is 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methylphenyl)-3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methylphenyl)-3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methylphenyl)-3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione is Cc1ccc(F)cc1-c1c(CN)c(N)nc2[nH]c(=O)n(C)c(=O)c12.
What is the InChIKey of 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methylphenyl)-3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is ODLRQMKZDVAWKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O2/c1-7-3-4-8(17)5-9(7)11-10(6-18)13(19)20-14-12(11)15(23)22(2)16(24)21-14/h3-5H,6,18H2,1-2H3,(H3,19,20,21,24).
What are the key properties of 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methylphenyl)-3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione?
7-amino-6-(aminomethyl)-5-(5-fluoro-2-methylphenyl)-3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 329.34 g/mol, XLogP of 0.78, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methylphenyl)-3-methyl-1H-pyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 143186243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).