6-methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride

C17H25ClN4O2 — CID 44522578

IUPAC6-methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride
SMILESCc1nc(N)nc(N)c1OCCCCCCOc1ccccc1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-13-15(16(18)21-17(19)20-13)23-12-8-3-2-7-11-22-14-9-5-4-6-10-14;/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H4,18,19,20,21);1H
InChIKeyWWQANIJWXNTBJU-UHFFFAOYSA-N
MW352.87 g/mol
LogP3.39
Rot. Bonds9

About 6-methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride

6-methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride (PubChem CID 44522578) has the molecular formula C17H25ClN4O2 and a molecular weight of 352.87 g/mol. Its IUPAC name is 6-methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride
PubChem CID44522578
Molecular FormulaC17H25ClN4O2
Molecular Weight352.87 g/mol
Exact Mass352.17
IUPAC Name6-methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride
SMILESCc1nc(N)nc(N)c1OCCCCCCOc1ccccc1.Cl
InChIInChI=1S/C17H24N4O2.ClH/c1-13-15(16(18)21-17(19)20-13)23-12-8-3-2-7-11-22-14-9-5-4-6-10-14;/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H4,18,19,20,21);1H
InChIKeyWWQANIJWXNTBJU-UHFFFAOYSA-N
XLogP3.39
TPSA96.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.87
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 6-methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride (CID 44522578) is 6-methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride is Cc1nc(N)nc(N)c1OCCCCCCOc1ccccc1.Cl.
What is the InChIKey of 6-methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride?
The InChIKey is WWQANIJWXNTBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2.ClH/c1-13-15(16(18)21-17(19)20-13)23-12-8-3-2-7-11-22-14-9-5-4-6-10-14;/h4-6,9-10H,2-3,7-8,11-12H2,1H3,(H4,18,19,20,21);1H.
What are the key properties of 6-methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride?
6-methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride has a molecular weight of 352.87 g/mol, XLogP of 3.39, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-5-(6-phenoxyhexoxy)pyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44522578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).