6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine

C14H17N3O2 — CID 98016972

IUPAC6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(-c2ccc(OCCOC)cc2)ncn1
InChIInChI=1S/C14H17N3O2/c1-15-14-9-13(16-10-17-14)11-3-5-12(6-4-11)19-8-7-18-2/h3-6,9-10H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyPHLRIDWCTLUBBW-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.21
Rot. Bonds6

About 6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine

6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine (PubChem CID 98016972) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine
PubChem CID98016972
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine
SMILESCNc1cc(-c2ccc(OCCOC)cc2)ncn1
InChIInChI=1S/C14H17N3O2/c1-15-14-9-13(16-10-17-14)11-3-5-12(6-4-11)19-8-7-18-2/h3-6,9-10H,7-8H2,1-2H3,(H,15,16,17)
InChIKeyPHLRIDWCTLUBBW-UHFFFAOYSA-N
XLogP2.21
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.21
H-Bond Donors ≤ 51
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-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine?
The IUPAC name of 6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine (CID 98016972) is 6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine is CNc1cc(-c2ccc(OCCOC)cc2)ncn1.
What is the InChIKey of 6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine?
The InChIKey is PHLRIDWCTLUBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-15-14-9-13(16-10-17-14)11-3-5-12(6-4-11)19-8-7-18-2/h3-6,9-10H,7-8H2,1-2H3,(H,15,16,17).
What are the key properties of 6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine?
6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine has a molecular weight of 259.31 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyethoxy)phenyl]-N-methylpyrimidin-4-amine is sourced from PubChem (CID 98016972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).