6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride

C19H23BrClN5O3 — CID 44531535

IUPAC6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCOc1cc(Cc2c(C)nc3nc(N)nc(N)c3c2C)c(Br)c(OC)c1OC.Cl
InChIInChI=1S/C19H22BrN5O3.ClH/c1-8-11(9(2)23-18-13(8)17(21)24-19(22)25-18)6-10-7-12(26-3)15(27-4)16(28-5)14(10)20;/h7H,6H2,1-5H3,(H4,21,22,23,24,25);1H
InChIKeyMUVJTBNIYPCNII-UHFFFAOYSA-N
MW484.78 g/mol
LogP3.61
Rot. Bonds5

About 6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride

6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 44531535) has the molecular formula C19H23BrClN5O3 and a molecular weight of 484.78 g/mol. Its IUPAC name is 6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
PubChem CID44531535
Molecular FormulaC19H23BrClN5O3
Molecular Weight484.78 g/mol
Exact Mass483.07
IUPAC Name6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride
SMILESCOc1cc(Cc2c(C)nc3nc(N)nc(N)c3c2C)c(Br)c(OC)c1OC.Cl
InChIInChI=1S/C19H22BrN5O3.ClH/c1-8-11(9(2)23-18-13(8)17(21)24-19(22)25-18)6-10-7-12(26-3)15(27-4)16(28-5)14(10)20;/h7H,6H2,1-5H3,(H4,21,22,23,24,25);1H
InChIKeyMUVJTBNIYPCNII-UHFFFAOYSA-N
XLogP3.61
TPSA118.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.78
LogP ≤ 53.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride (CID 44531535) is 6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is COc1cc(Cc2c(C)nc3nc(N)nc(N)c3c2C)c(Br)c(OC)c1OC.Cl.
What is the InChIKey of 6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is MUVJTBNIYPCNII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22BrN5O3.ClH/c1-8-11(9(2)23-18-13(8)17(21)24-19(22)25-18)6-10-7-12(26-3)15(27-4)16(28-5)14(10)20;/h7H,6H2,1-5H3,(H4,21,22,23,24,25);1H.
What are the key properties of 6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride?
6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 484.78 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-bromo-3,4,5-trimethoxyphenyl)methyl]-5,7-dimethylpyrido[2,3-d]pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44531535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).