6-(3-phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride

C19H21ClN4O — CID 155555730

IUPAC6-(3-phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
SMILESCl.Nc1nc(N)c(-c2ccccc2)c(CCCOc2ccccc2)n1
InChIInChI=1S/C19H20N4O.ClH/c20-18-17(14-8-3-1-4-9-14)16(22-19(21)23-18)12-7-13-24-15-10-5-2-6-11-15;/h1-6,8-11H,7,12-13H2,(H4,20,21,22,23);1H
InChIKeyUZNBIWVFFZAUNF-UHFFFAOYSA-N
MW356.86 g/mol
LogP3.74
Rot. Bonds6

About 6-(3-phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride

6-(3-phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride (PubChem CID 155555730) has the molecular formula C19H21ClN4O and a molecular weight of 356.86 g/mol. Its IUPAC name is 6-(3-phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride.

Molecular Properties

Compound Name6-(3-phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
PubChem CID155555730
Molecular FormulaC19H21ClN4O
Molecular Weight356.86 g/mol
Exact Mass356.14
IUPAC Name6-(3-phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride
SMILESCl.Nc1nc(N)c(-c2ccccc2)c(CCCOc2ccccc2)n1
InChIInChI=1S/C19H20N4O.ClH/c20-18-17(14-8-3-1-4-9-14)16(22-19(21)23-18)12-7-13-24-15-10-5-2-6-11-15;/h1-6,8-11H,7,12-13H2,(H4,20,21,22,23);1H
InChIKeyUZNBIWVFFZAUNF-UHFFFAOYSA-N
XLogP3.74
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.86
LogP ≤ 53.74
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-(3-phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride?
The IUPAC name of 6-(3-phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride (CID 155555730) is 6-(3-phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride.
What is the SMILES notation for 6-(3-phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride?
The canonical SMILES for 6-(3-phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride is Cl.Nc1nc(N)c(-c2ccccc2)c(CCCOc2ccccc2)n1.
What is the InChIKey of 6-(3-phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride?
The InChIKey is UZNBIWVFFZAUNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O.ClH/c20-18-17(14-8-3-1-4-9-14)16(22-19(21)23-18)12-7-13-24-15-10-5-2-6-11-15;/h1-6,8-11H,7,12-13H2,(H4,20,21,22,23);1H.
What are the key properties of 6-(3-phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride?
6-(3-phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride has a molecular weight of 356.86 g/mol, XLogP of 3.74, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-phenoxypropyl)-5-phenylpyrimidine-2,4-diamine;hydrochloride is sourced from PubChem (CID 155555730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).