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

C17H19N5O3 — CID 11674534

IUPAC7-amino-6-(aminomethyl)-5-(2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1-c1c(CN)c(N)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H19N5O3/c1-21-15-13(16(23)22(2)17(21)24)12(10(8-18)14(19)20-15)9-6-4-5-7-11(9)25-3/h4-7H,8,18H2,1-3H3,(H2,19,20)
InChIKeyCMTNDUWGFAHFSE-UHFFFAOYSA-N
MW341.37 g/mol
LogP0.35
Rot. Bonds3

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

7-amino-6-(aminomethyl)-5-(2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 11674534) has the molecular formula C17H19N5O3 and a molecular weight of 341.37 g/mol. Its IUPAC name is 7-amino-6-(aminomethyl)-5-(2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name7-amino-6-(aminomethyl)-5-(2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID11674534
Molecular FormulaC17H19N5O3
Molecular Weight341.37 g/mol
Exact Mass341.15
IUPAC Name7-amino-6-(aminomethyl)-5-(2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCOc1ccccc1-c1c(CN)c(N)nc2c1c(=O)n(C)c(=O)n2C
InChIInChI=1S/C17H19N5O3/c1-21-15-13(16(23)22(2)17(21)24)12(10(8-18)14(19)20-15)9-6-4-5-7-11(9)25-3/h4-7H,8,18H2,1-3H3,(H2,19,20)
InChIKeyCMTNDUWGFAHFSE-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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Related Compounds

5-(2-ethoxyphenyl)-1,3-dimethyl-7-phenylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 2392552
1-benzyl-N-cyclohexyl-7-methoxy-4-oxo-1,4-dihydro-1,8-naphthyridine-3-carboxamide
CID 24873535
Pyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione, 7-amino-6-(aminomethyl)-5-(5-fluoro-2-methoxyphenyl)-1,3-dimethyl-
CID 71449608
2-amino-6-[(2,5-dimethoxyphenyl)methyl]-5-methyl-3H-pyrido[2,3-d]pyrimidin-4-one
CID 135925137
7-Amino-6-(aminomethyl)-5-(3-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
CID 11695818
3-Benzyl-1-methyl-6-(phenoxymethyl)pyrido[2,3-d]pyrimidine-2,4-dione
CID 44371475
3-[(4-methoxyphenyl)methyl]-1H-pyrido[2,3-d]pyrimidine-2,4-dione
CID 22449821
N-[(4-Methoxyphenyl)methyl]-3-{1,3,5,7-tetramethyl-2,4-dioxo-1H,2H,3H,4H-pyrido[2,3-D]pyrimidin-6-YL}propanamide
CID 16008603
7-Amino-5-(4-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 929959
7-Amino-5-(4-ethoxy-3-methoxyphenyl)-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrido[2,3-d]pyrimidine-6-carbonitrile
CID 1088622
5-(2-ethoxyphenyl)-7-(4-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4(1H,3H)-dione
CID 2354555
5-(4-methoxyphenyl)-2-(piperidin-1-yl)pyrido[2,3-d]pyrimidin-4(3H)-one
CID 135645526

Frequently Asked Questions

What is the IUPAC name of 7-amino-6-(aminomethyl)-5-(2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 7-amino-6-(aminomethyl)-5-(2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 11674534) is 7-amino-6-(aminomethyl)-5-(2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 7-amino-6-(aminomethyl)-5-(2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 7-amino-6-(aminomethyl)-5-(2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is COc1ccccc1-c1c(CN)c(N)nc2c1c(=O)n(C)c(=O)n2C.
What is the InChIKey of 7-amino-6-(aminomethyl)-5-(2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is CMTNDUWGFAHFSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3/c1-21-15-13(16(23)22(2)17(21)24)12(10(8-18)14(19)20-15)9-6-4-5-7-11(9)25-3/h4-7H,8,18H2,1-3H3,(H2,19,20).
What are the key properties of 7-amino-6-(aminomethyl)-5-(2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
7-amino-6-(aminomethyl)-5-(2-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-(2-methoxyphenyl)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 11674534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).