6-methyl-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride

C19H21ClN4O — CID 44531422

IUPAC6-methyl-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride
SMILESCc1cc(Nc2ccccc2)nc(NCCOc2ccccc2)n1.Cl
InChIInChI=1S/C19H20N4O.ClH/c1-15-14-18(22-16-8-4-2-5-9-16)23-19(21-15)20-12-13-24-17-10-6-3-7-11-17;/h2-11,14H,12-13H2,1H3,(H2,20,21,22,23);1H
InChIKeyUXGXLOYNGDKTOZ-UHFFFAOYSA-N
MW356.86 g/mol
LogP4.44
Rot. Bonds7

About 6-methyl-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride

6-methyl-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride (PubChem CID 44531422) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 6-methyl-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-methyl-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride
PubChem CID44531422
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name6-methyl-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride
SMILESCc1cc(Nc2ccccc2)nc(NCCOc2ccccc2)n1.Cl
InChIInChI=1S/C19H20N4O.ClH/c1-15-14-18(22-16-8-4-2-5-9-16)23-19(21-15)20-12-13-24-17-10-6-3-7-11-17;/h2-11,14H,12-13H2,1H3,(H2,20,21,22,23);1H
InChIKeyUXGXLOYNGDKTOZ-UHFFFAOYSA-N
XLogP4.44
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 6-methyl-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride (CID 44531422) is 6-methyl-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-methyl-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-methyl-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride is Cc1cc(Nc2ccccc2)nc(NCCOc2ccccc2)n1.Cl.
What is the InChIKey of 6-methyl-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride?
The InChIKey is UXGXLOYNGDKTOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.ClH/c1-15-14-18(22-16-8-4-2-5-9-16)23-19(21-15)20-12-13-24-17-10-6-3-7-11-17;/h2-11,14H,12-13H2,1H3,(H2,20,21,22,23);1H.
What are the key properties of 6-methyl-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride?
6-methyl-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride has a molecular weight of 356.86 g/mol, XLogP of 4.44, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-N-(2-phenoxyethyl)-4-N-phenylpyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 44531422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).