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

C19H22BrN5O2 — CID 143186324

IUPAC6-(aminomethyl)-5-(2-bromo-5-methylphenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCNc1nc2c(c(-c3cc(C)ccc3Br)c1CN)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H22BrN5O2/c1-5-22-16-12(9-21)14(11-8-10(2)6-7-13(11)20)15-17(23-16)24(3)19(27)25(4)18(15)26/h6-8H,5,9,21H2,1-4H3,(H,22,23)
InChIKeyNOJHBCCSKCPQRG-UHFFFAOYSA-N
MW432.32 g/mol
LogP2.26
Rot. Bonds4

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

6-(aminomethyl)-5-(2-bromo-5-methylphenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (PubChem CID 143186324) has the molecular formula C19H22BrN5O2 and a molecular weight of 432.32 g/mol. Its IUPAC name is 6-(aminomethyl)-5-(2-bromo-5-methylphenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-(aminomethyl)-5-(2-bromo-5-methylphenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
PubChem CID143186324
Molecular FormulaC19H22BrN5O2
Molecular Weight432.32 g/mol
Exact Mass431.10
IUPAC Name6-(aminomethyl)-5-(2-bromo-5-methylphenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione
SMILESCCNc1nc2c(c(-c3cc(C)ccc3Br)c1CN)c(=O)n(C)c(=O)n2C
InChIInChI=1S/C19H22BrN5O2/c1-5-22-16-12(9-21)14(11-8-10(2)6-7-13(11)20)15-17(23-16)24(3)19(27)25(4)18(15)26/h6-8H,5,9,21H2,1-4H3,(H,22,23)
InChIKeyNOJHBCCSKCPQRG-UHFFFAOYSA-N
XLogP2.26
TPSA94.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.32
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(aminomethyl)-5-(2-bromo-5-methylphenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The IUPAC name of 6-(aminomethyl)-5-(2-bromo-5-methylphenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione (CID 143186324) is 6-(aminomethyl)-5-(2-bromo-5-methylphenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione.
What is the SMILES notation for 6-(aminomethyl)-5-(2-bromo-5-methylphenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The canonical SMILES for 6-(aminomethyl)-5-(2-bromo-5-methylphenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is CCNc1nc2c(c(-c3cc(C)ccc3Br)c1CN)c(=O)n(C)c(=O)n2C.
What is the InChIKey of 6-(aminomethyl)-5-(2-bromo-5-methylphenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
The InChIKey is NOJHBCCSKCPQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O2/c1-5-22-16-12(9-21)14(11-8-10(2)6-7-13(11)20)15-17(23-16)24(3)19(27)25(4)18(15)26/h6-8H,5,9,21H2,1-4H3,(H,22,23).
What are the key properties of 6-(aminomethyl)-5-(2-bromo-5-methylphenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione?
6-(aminomethyl)-5-(2-bromo-5-methylphenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione has a molecular weight of 432.32 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(aminomethyl)-5-(2-bromo-5-methylphenyl)-7-(ethylamino)-1,3-dimethylpyrido[2,3-d]pyrimidine-2,4-dione is sourced from PubChem (CID 143186324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).