4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine

C15H19N3O — CID 133304713

IUPAC4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine
SMILESCc1ccnc(NCCOCCc2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-13-7-9-16-15(18-13)17-10-12-19-11-8-14-5-3-2-4-6-14/h2-7,9H,8,10-12H2,1H3,(H,16,17,18)
InChIKeyHEBNTXCWCRZABG-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.46
Rot. Bonds7

About 4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine

4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine (PubChem CID 133304713) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine
PubChem CID133304713
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine
SMILESCc1ccnc(NCCOCCc2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-13-7-9-16-15(18-13)17-10-12-19-11-8-14-5-3-2-4-6-14/h2-7,9H,8,10-12H2,1H3,(H,16,17,18)
InChIKeyHEBNTXCWCRZABG-UHFFFAOYSA-N
XLogP2.46
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.46
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

4-methyl-N-(3-propoxypropyl)pyrimidin-2-amine
CID 82944082
N-[3-(2-aminoethoxy)propyl]-4-methylpyrimidin-2-amine
CID 106308364
N-[2-(4-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 55152107
4-methyl-N-[2-(2-propan-2-ylphenoxy)ethyl]pyrimidin-2-amine
CID 133309879
N-[2-(2-fluorophenyl)ethyl]-4-methylpyrimidin-2-amine
CID 62959074
4-ethoxy-N-(2-phenylethyl)pyrimidin-2-amine
CID 112636504
2-(2-methoxyethylamino)-N-(2-phenylethyl)pyrimidine-4-carboxamide
CID 109299630
N-(2-phenylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636503
N-(3-fluoropropyl)-4-methylpyrimidin-2-amine
CID 130504329
4-methyl-N-[2-(4-nitrophenyl)ethyl]pyrimidin-2-amine
CID 62958039
4-methyl-N-octylpyrimidin-2-amine
CID 115568939
3-methyl-1-N-(4-methylpyrimidin-2-yl)butane-1,3-diamine
CID 117044287

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine (CID 133304713) is 4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine is Cc1ccnc(NCCOCCc2ccccc2)n1.
What is the InChIKey of 4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine?
The InChIKey is HEBNTXCWCRZABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-13-7-9-16-15(18-13)17-10-12-19-11-8-14-5-3-2-4-6-14/h2-7,9H,8,10-12H2,1H3,(H,16,17,18).
What are the key properties of 4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine?
4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine has a molecular weight of 257.34 g/mol, XLogP of 2.46, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-phenylethoxy)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 133304713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).