N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine

C15H19N3O2 — CID 133444709

IUPACN-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccc(COCCNc2cc(C)ncn2)cc1
InChIInChI=1S/C15H19N3O2/c1-12-9-15(18-11-17-12)16-7-8-20-10-13-3-5-14(19-2)6-4-13/h3-6,9,11H,7-8,10H2,1-2H3,(H,16,17,18)
InChIKeyRCENHOMOEMYIAR-UHFFFAOYSA-N
MW273.34 g/mol
LogP2.42
Rot. Bonds7

About N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine

N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine (PubChem CID 133444709) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine
PubChem CID133444709
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine
SMILESCOc1ccc(COCCNc2cc(C)ncn2)cc1
InChIInChI=1S/C15H19N3O2/c1-12-9-15(18-11-17-12)16-7-8-20-10-13-3-5-14(19-2)6-4-13/h3-6,9,11H,7-8,10H2,1-2H3,(H,16,17,18)
InChIKeyRCENHOMOEMYIAR-UHFFFAOYSA-N
XLogP2.42
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 52.42
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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Related Compounds

N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444680
5-bromo-N-[2-[(4-methoxyphenyl)methoxy]ethyl]pyridin-2-amine
CID 133444684
N-[2-(4-aminophenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 61227109
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-5-methylquinazolin-4-amine
CID 133444711
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
N-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 133298580
6-N-[2-(4-methoxyphenyl)ethyl]-4-N-[(4-methoxyphenyl)methyl]pyrimidine-4,6-diamine
CID 112860204
6-N-[2-(4-chlorophenyl)ethyl]-4-N-[2-(4-methoxyphenoxy)ethyl]pyrimidine-4,6-diamine
CID 112862520
4-fluoro-N-[2-[(4-methoxyphenyl)methoxy]ethyl]aniline
CID 62599050
6-N-(2-methoxyethyl)-4-N-(4-methoxyphenyl)pyrimidine-4,6-diamine
CID 53261247
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-3-methylquinoxalin-2-amine
CID 133444704
N-[3-(3,4-dimethoxyphenyl)propyl]-6-methylpyrimidin-4-amine
CID 133299019

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine (CID 133444709) is N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine is COc1ccc(COCCNc2cc(C)ncn2)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine?
The InChIKey is RCENHOMOEMYIAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-12-9-15(18-11-17-12)16-7-8-20-10-13-3-5-14(19-2)6-4-13/h3-6,9,11H,7-8,10H2,1-2H3,(H,16,17,18).
What are the key properties of N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine?
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 2.42, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133444709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).