N-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine

C15H19N3O — CID 133298580

IUPACN-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(C)cc(OCCNc2cc(C)ncn2)c1
InChIInChI=1S/C15H19N3O/c1-11-6-12(2)8-14(7-11)19-5-4-16-15-9-13(3)17-10-18-15/h6-10H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyQRGPORHIXCCOJI-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.89
Rot. Bonds5

About N-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine

N-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine (PubChem CID 133298580) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine
PubChem CID133298580
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine
SMILESCc1cc(C)cc(OCCNc2cc(C)ncn2)c1
InChIInChI=1S/C15H19N3O/c1-11-6-12(2)8-14(7-11)19-5-4-16-15-9-13(3)17-10-18-15/h6-10H,4-5H2,1-3H3,(H,16,17,18)
InChIKeyQRGPORHIXCCOJI-UHFFFAOYSA-N
XLogP2.89
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[2-(4-aminophenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 61227109
N-(2-bromoethyl)-6-methylpyrimidin-4-amine
CID 126848039
N-[2-[(4-methoxyphenyl)methoxy]ethyl]-6-methylpyrimidin-4-amine
CID 133444709
N-(3-bromopropyl)-6-methylpyrimidin-4-amine
CID 126848040
N',N'-dimethyl-N-(6-methylpyrimidin-4-yl)ethane-1,2-diamine
CID 61225693
6-methoxy-N-[2-(4-methoxyphenoxy)ethyl]pyrimidin-4-amine
CID 82453533
methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate
CID 61225699
methyl N-[2-[(6-methylpyrimidin-4-yl)amino]ethyl]carbamate
CID 90453684
3-(3,5-dimethylphenoxy)-N-methylpropan-1-amine
CID 23010528
N-[2-(3-methylphenoxy)ethyl]-6-propan-2-yloxypyrimidin-4-amine
CID 66330376
N-[2-(2,4-dimethylphenyl)ethyl]-6-methylpyrimidin-4-amine
CID 133299032
6-N-ethyl-4-N-(2-phenoxyethyl)pyrimidine-4,6-diamine
CID 80815379

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine?
The IUPAC name of N-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine (CID 133298580) is N-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine.
What is the SMILES notation for N-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine?
The canonical SMILES for N-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine is Cc1cc(C)cc(OCCNc2cc(C)ncn2)c1.
What is the InChIKey of N-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine?
The InChIKey is QRGPORHIXCCOJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-6-12(2)8-14(7-11)19-5-4-16-15-9-13(3)17-10-18-15/h6-10H,4-5H2,1-3H3,(H,16,17,18).
What are the key properties of N-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine?
N-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine has a molecular weight of 257.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylphenoxy)ethyl]-6-methylpyrimidin-4-amine is sourced from PubChem (CID 133298580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).