N,N-dimethyl-6-(2-phenylmethoxyethyl)pyrimidin-4-amine

C15H19N3O — CID 72924710

IUPACN,N-dimethyl-6-(2-phenylmethoxyethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(CCOCc2ccccc2)ncn1
InChIInChI=1S/C15H19N3O/c1-18(2)15-10-14(16-12-17-15)8-9-19-11-13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyXWZUIYSVDZBGOD-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.30
Rot. Bonds6

About N,N-dimethyl-6-(2-phenylmethoxyethyl)pyrimidin-4-amine

N,N-dimethyl-6-(2-phenylmethoxyethyl)pyrimidin-4-amine (PubChem CID 72924710) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N,N-dimethyl-6-(2-phenylmethoxyethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,N-dimethyl-6-(2-phenylmethoxyethyl)pyrimidin-4-amine
PubChem CID72924710
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN,N-dimethyl-6-(2-phenylmethoxyethyl)pyrimidin-4-amine
SMILESCN(C)c1cc(CCOCc2ccccc2)ncn1
InChIInChI=1S/C15H19N3O/c1-18(2)15-10-14(16-12-17-15)8-9-19-11-13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3
InChIKeyXWZUIYSVDZBGOD-UHFFFAOYSA-N
XLogP2.30
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 N,N-dimethyl-6-(2-phenylmethoxyethyl)pyrimidin-4-amine?
The IUPAC name of N,N-dimethyl-6-(2-phenylmethoxyethyl)pyrimidin-4-amine (CID 72924710) is N,N-dimethyl-6-(2-phenylmethoxyethyl)pyrimidin-4-amine.
What is the SMILES notation for N,N-dimethyl-6-(2-phenylmethoxyethyl)pyrimidin-4-amine?
The canonical SMILES for N,N-dimethyl-6-(2-phenylmethoxyethyl)pyrimidin-4-amine is CN(C)c1cc(CCOCc2ccccc2)ncn1.
What is the InChIKey of N,N-dimethyl-6-(2-phenylmethoxyethyl)pyrimidin-4-amine?
The InChIKey is XWZUIYSVDZBGOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18(2)15-10-14(16-12-17-15)8-9-19-11-13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3.
What are the key properties of N,N-dimethyl-6-(2-phenylmethoxyethyl)pyrimidin-4-amine?
N,N-dimethyl-6-(2-phenylmethoxyethyl)pyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-6-(2-phenylmethoxyethyl)pyrimidin-4-amine is sourced from PubChem (CID 72924710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).