6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride

C16H23ClN4O4 — CID 44522585

IUPAC6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride
SMILESCOc1cc(CCOc2c(C)nc(N)nc2N)cc(OC)c1OC.Cl
InChIInChI=1S/C16H22N4O4.ClH/c1-9-13(15(17)20-16(18)19-9)24-6-5-10-7-11(21-2)14(23-4)12(8-10)22-3;/h7-8H,5-6H2,1-4H3,(H4,17,18,19,20);1H
InChIKeyGMCZTNYMZNQLPT-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.02
Rot. Bonds7

About 6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride

6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride (PubChem CID 44522585) has the molecular formula C16H23ClN4O4 and a molecular weight of 370.84 g/mol. Its IUPAC name is 6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride
PubChem CID44522585
Molecular FormulaC16H23ClN4O4
Molecular Weight370.84 g/mol
Exact Mass370.14
IUPAC Name6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride
SMILESCOc1cc(CCOc2c(C)nc(N)nc2N)cc(OC)c1OC.Cl
InChIInChI=1S/C16H22N4O4.ClH/c1-9-13(15(17)20-16(18)19-9)24-6-5-10-7-11(21-2)14(23-4)12(8-10)22-3;/h7-8H,5-6H2,1-4H3,(H4,17,18,19,20);1H
InChIKeyGMCZTNYMZNQLPT-UHFFFAOYSA-N
XLogP2.02
TPSA114.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

5-[2-(4-chlorophenyl)ethoxy]-6-methylpyrimidine-2,4-diamine
CID 134104196
2-(3,4,5-trimethoxyphenyl)ethyl acetate
CID 151337220
6-methyl-5-(4-phenoxybutoxy)pyrimidine-2,4-diamine;hydrate;hydrochloride
CID 44522577
4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 12655207
6-methyl-5-[(3S)-3-(3,4,5-trimethoxyphenyl)pent-1-ynyl]pyrimidine-2,4-diamine
CID 45482183
4-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 175987067
2-(3,4,5-trimethoxyphenyl)ethylazanium
CID 6918993
2-(3,4,5-trimethoxyphenyl)ethylsilane
CID 175460216
3-[4-[(2,4-diaminoquinazolin-6-yl)methylamino]-2,6-dimethoxyphenoxy]propanoic acid;dihydrochloride
CID 134114923
5-(3,4,5-trimethoxyphenoxy)pyrimidine-2,4-diamine
CID 626130
5-[(3,5-dimethoxy-4-octoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 5279633
benzoic acid;5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 71329105

Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride (CID 44522585) is 6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride is COc1cc(CCOc2c(C)nc(N)nc2N)cc(OC)c1OC.Cl.
What is the InChIKey of 6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is GMCZTNYMZNQLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4.ClH/c1-9-13(15(17)20-16(18)19-9)24-6-5-10-7-11(21-2)14(23-4)12(8-10)22-3;/h7-8H,5-6H2,1-4H3,(H4,17,18,19,20);1H.
What are the key properties of 6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride?
6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 370.84 g/mol, XLogP of 2.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44522585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).