5-[2-(3,4-dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride

C15H21ClN4O3 — CID 44523093

IUPAC5-[2-(3,4-dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
SMILESCOc1ccc(CCOc2c(C)nc(N)nc2N)cc1OC.Cl
InChIInChI=1S/C15H20N4O3.ClH/c1-9-13(14(16)19-15(17)18-9)22-7-6-10-4-5-11(20-2)12(8-10)21-3;/h4-5,8H,6-7H2,1-3H3,(H4,16,17,18,19);1H
InChIKeyGADYHYBQXBWCAB-UHFFFAOYSA-N
MW340.81 g/mol
LogP2.01
Rot. Bonds6

About 5-[2-(3,4-dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride

5-[2-(3,4-dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride (PubChem CID 44523093) has the molecular formula C15H21ClN4O3 and a molecular weight of 340.81 g/mol. Its IUPAC name is 5-[2-(3,4-dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name5-[2-(3,4-dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
PubChem CID44523093
Molecular FormulaC15H21ClN4O3
Molecular Weight340.81 g/mol
Exact Mass340.13
IUPAC Name5-[2-(3,4-dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
SMILESCOc1ccc(CCOc2c(C)nc(N)nc2N)cc1OC.Cl
InChIInChI=1S/C15H20N4O3.ClH/c1-9-13(14(16)19-15(17)18-9)22-7-6-10-4-5-11(20-2)12(8-10)21-3;/h4-5,8H,6-7H2,1-3H3,(H4,16,17,18,19);1H
InChIKeyGADYHYBQXBWCAB-UHFFFAOYSA-N
XLogP2.01
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.81
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 5-[2-(3,4-dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride (CID 44523093) is 5-[2-(3,4-dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 5-[2-(3,4-dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 5-[2-(3,4-dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride is COc1ccc(CCOc2c(C)nc(N)nc2N)cc1OC.Cl.
What is the InChIKey of 5-[2-(3,4-dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride?
The InChIKey is GADYHYBQXBWCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3.ClH/c1-9-13(14(16)19-15(17)18-9)22-7-6-10-4-5-11(20-2)12(8-10)21-3;/h4-5,8H,6-7H2,1-3H3,(H4,16,17,18,19);1H.
What are the key properties of 5-[2-(3,4-dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride?
5-[2-(3,4-dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride has a molecular weight of 340.81 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(3,4-dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44523093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).