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

C17H18FN5O3 — CID 71449608

IUPAC7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(F)cc1-c1c(CN)c(N)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H18FN5O3/c1-22-15-13(16(24)23(2)17(22)25)12(10(7-19)14(20)21-15)9-6-8(18)4-5-11(9)26-3/h4-6H,7,19H2,1-3H3,(H2,20,21)
InChIKeyHJWFQDWOWDPIBE-UHFFFAOYSA-N
MW359.36 g/mol
LogP0.49
Rot. Bonds3

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

7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 71449608) has the molecular formula C17H18FN5O3 and a molecular weight of 359.36 g/mol. Its IUPAC name is 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID71449608
Molecular FormulaC17H18FN5O3
Molecular Weight359.36 g/mol
Exact Mass359.14
IUPAC Name7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccc(F)cc1-c1c(CN)c(N)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H18FN5O3/c1-22-15-13(16(24)23(2)17(22)25)12(10(7-19)14(20)21-15)9-6-8(18)4-5-11(9)26-3/h4-6H,7,19H2,1-3H3,(H2,20,21)
InChIKeyHJWFQDWOWDPIBE-UHFFFAOYSA-N
XLogP0.49
TPSA118.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.36
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 71449608) is 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is COc1ccc(F)cc1-c1c(CN)c(N)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is HJWFQDWOWDPIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN5O3/c1-22-15-13(16(24)23(2)17(22)25)12(10(7-19)14(20)21-15)9-6-8(18)4-5-11(9)26-3/h4-6H,7,19H2,1-3H3,(H2,20,21).
What are the key properties of 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 359.36 g/mol, XLogP of 0.49, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 71449608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).