5-[3-(2,6-dimethoxyphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride

C16H23ClN4O4 — CID 44522576

IUPAC5-[3-(2,6-dimethoxyphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
SMILESCOc1cccc(OC)c1OCCCOc1c(C)nc(N)nc1N.Cl
InChIInChI=1S/C16H22N4O4.ClH/c1-10-13(15(17)20-16(18)19-10)23-8-5-9-24-14-11(21-2)6-4-7-12(14)22-3;/h4,6-7H,5,8-9H2,1-3H3,(H4,17,18,19,20);1H
InChIKeyOJEBTIAOEYJNCG-UHFFFAOYSA-N
MW370.84 g/mol
LogP2.24
Rot. Bonds8

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

5-[3-(2,6-dimethoxyphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride (PubChem CID 44522576) has the molecular formula C16H23ClN4O4 and a molecular weight of 370.84 g/mol. Its IUPAC name is 5-[3-(2,6-dimethoxyphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name5-[3-(2,6-dimethoxyphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
PubChem CID44522576
Molecular FormulaC16H23ClN4O4
Molecular Weight370.84 g/mol
Exact Mass370.14
IUPAC Name5-[3-(2,6-dimethoxyphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
SMILESCOc1cccc(OC)c1OCCCOc1c(C)nc(N)nc1N.Cl
InChIInChI=1S/C16H22N4O4.ClH/c1-10-13(15(17)20-16(18)19-10)23-8-5-9-24-14-11(21-2)6-4-7-12(14)22-3;/h4,6-7H,5,8-9H2,1-3H3,(H4,17,18,19,20);1H
InChIKeyOJEBTIAOEYJNCG-UHFFFAOYSA-N
XLogP2.24
TPSA114.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.84
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-[3-(2,6-dimethoxyphenoxy)propoxy]-6-methylpyrimidine-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

Related Compounds

5-[3-(2-Bromophenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 44522590
6-Ethyl-5-[3-propoxy-4-(3,4,5-trimethoxy-benzyloxy)-benzyl]-pyrimidine-2,4-diamine
CID 11202498
6-Methyl-5-[(3,4,5-trimethoxyphenyl)methoxy]pyrimidine-2,4-diamine;hydrochloride
CID 44522570
6-Methyl-5-(4-phenoxybutoxy)pyrimidine-2,4-diamine;hydrate;hydrochloride
CID 44522577
6-Methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride
CID 44522578
5-[(2-Methoxyphenyl)methoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 44522581
6-Methyl-5-[2-(3,4,5-trimethoxyphenyl)ethoxy]pyrimidine-2,4-diamine;hydrochloride
CID 44522585
5-[2-(3,4-Dimethoxyphenyl)ethoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride
CID 44523093
Pyrimidine, 4-amino-6-methyl-2-(phenoxymethyl)-, hydrochloride
CID 3051320
Pyrimidine, 4-amino-2-((o-methoxyphenoxy)methyl)-6-methyl-, hydrochloride
CID 3051324
4-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-N,6-dimethylpyrimidine-2,4-diamine
CID 56811782
4-N-[2-(2-methoxyphenoxy)ethyl]-4-N,6-dimethylpyrimidine-2,4-diamine
CID 56815593

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2,6-dimethoxyphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 5-[3-(2,6-dimethoxyphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride (CID 44522576) is 5-[3-(2,6-dimethoxyphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 5-[3-(2,6-dimethoxyphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 5-[3-(2,6-dimethoxyphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride is COc1cccc(OC)c1OCCCOc1c(C)nc(N)nc1N.Cl.
What is the InChIKey of 5-[3-(2,6-dimethoxyphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride?
The InChIKey is OJEBTIAOEYJNCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O4.ClH/c1-10-13(15(17)20-16(18)19-10)23-8-5-9-24-14-11(21-2)6-4-7-12(14)22-3;/h4,6-7H,5,8-9H2,1-3H3,(H4,17,18,19,20);1H.
What are the key properties of 5-[3-(2,6-dimethoxyphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride?
5-[3-(2,6-dimethoxyphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride has a molecular weight of 370.84 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2,6-dimethoxyphenoxy)propoxy]-6-methylpyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44522576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).