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

C17H19N5O3 — CID 11695818

IUPAC7-amino-6-(aminomethyl)-5-(3-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cccc(-c2c(CN)c(N)nc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C17H19N5O3/c1-21-15-13(16(23)22(2)17(21)24)12(11(8-18)14(19)20-15)9-5-4-6-10(7-9)25-3/h4-7H,8,18H2,1-3H3,(H2,19,20)
InChIKeyWXWFNEBRVXUMEU-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.35
Rot. Bonds3

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

7-amino-6-(aminomethyl)-5-(3-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 11695818) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 7-amino-6-(aminomethyl)-5-(3-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-6-(aminomethyl)-5-(3-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID11695818
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name7-amino-6-(aminomethyl)-5-(3-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1cccc(-c2c(CN)c(N)nc3c2c(=O)n(C)c(=O)n3C)c1
InChIInChI=1S/C17H19N5O3/c1-21-15-13(16(23)22(2)17(21)24)12(11(8-18)14(19)20-15)9-5-4-6-10(7-9)25-3/h4-7H,8,18H2,1-3H3,(H2,19,20)
InChIKeyWXWFNEBRVXUMEU-UHFFFAOYSA-N
XLogP0.35
TPSA118.16 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.37
LogP ≤ 50.35
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-(3-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-6-(aminomethyl)-5-(3-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 11695818) is 7-amino-6-(aminomethyl)-5-(3-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-6-(aminomethyl)-5-(3-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-6-(aminomethyl)-5-(3-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is COc1cccc(-c2c(CN)c(N)nc3c2c(=O)n(C)c(=O)n3C)c1.
What is the InChIKey of 7-amino-6-(aminomethyl)-5-(3-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is WXWFNEBRVXUMEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-21-15-13(16(23)22(2)17(21)24)12(11(8-18)14(19)20-15)9-5-4-6-10(7-9)25-3/h4-7H,8,18H2,1-3H3,(H2,19,20).
What are the key properties of 7-amino-6-(aminomethyl)-5-(3-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-amino-6-(aminomethyl)-5-(3-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 341.37 g/mol, XLogP of 0.35, 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-(3-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11695818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).