4-[10-(methoxymethoxy)decyl]-6-methyl-5-phenylmethoxypyrimidin-2-amine

C24H37N3O3 — CID 67328269

IUPAC4-[10-(methoxymethoxy)decyl]-6-methyl-5-phenylmethoxypyrimidin-2-amine
SMILESCOCOCCCCCCCCCCc1nc(N)nc(C)c1OCc1ccccc1
InChIInChI=1S/C24H37N3O3/c1-20-23(30-18-21-14-10-9-11-15-21)22(27-24(25)26-20)16-12-7-5-3-4-6-8-13-17-29-19-28-2/h9-11,14-15H,3-8,12-13,16-19H2,1-2H3,(H2,25,26,27)
InChIKeyWAFMIXBSXMNDAS-UHFFFAOYSA-N
MW415.58 g/mol
LogP5.23
Rot. Bonds16

About 4-[10-(methoxymethoxy)decyl]-6-methyl-5-phenylmethoxypyrimidin-2-amine

4-[10-(methoxymethoxy)decyl]-6-methyl-5-phenylmethoxypyrimidin-2-amine (PubChem CID 67328269) has the molecular formula C24H37N3O3 and a molecular weight of 415.58 g/mol. Its IUPAC name is 4-[10-(methoxymethoxy)decyl]-6-methyl-5-phenylmethoxypyrimidin-2-amine.

Molecular Properties

Compound Name4-[10-(methoxymethoxy)decyl]-6-methyl-5-phenylmethoxypyrimidin-2-amine
PubChem CID67328269
Molecular FormulaC24H37N3O3
Molecular Weight415.58 g/mol
Exact Mass415.28
IUPAC Name4-[10-(methoxymethoxy)decyl]-6-methyl-5-phenylmethoxypyrimidin-2-amine
SMILESCOCOCCCCCCCCCCc1nc(N)nc(C)c1OCc1ccccc1
InChIInChI=1S/C24H37N3O3/c1-20-23(30-18-21-14-10-9-11-15-21)22(27-24(25)26-20)16-12-7-5-3-4-6-8-13-17-29-19-28-2/h9-11,14-15H,3-8,12-13,16-19H2,1-2H3,(H2,25,26,27)
InChIKeyWAFMIXBSXMNDAS-UHFFFAOYSA-N
XLogP5.23
TPSA79.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds16
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.58
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[10-(methoxymethoxy)decyl]-6-methyl-5-phenylmethoxypyrimidin-2-amine?
The IUPAC name of 4-[10-(methoxymethoxy)decyl]-6-methyl-5-phenylmethoxypyrimidin-2-amine (CID 67328269) is 4-[10-(methoxymethoxy)decyl]-6-methyl-5-phenylmethoxypyrimidin-2-amine.
What is the SMILES notation for 4-[10-(methoxymethoxy)decyl]-6-methyl-5-phenylmethoxypyrimidin-2-amine?
The canonical SMILES for 4-[10-(methoxymethoxy)decyl]-6-methyl-5-phenylmethoxypyrimidin-2-amine is COCOCCCCCCCCCCc1nc(N)nc(C)c1OCc1ccccc1.
What is the InChIKey of 4-[10-(methoxymethoxy)decyl]-6-methyl-5-phenylmethoxypyrimidin-2-amine?
The InChIKey is WAFMIXBSXMNDAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H37N3O3/c1-20-23(30-18-21-14-10-9-11-15-21)22(27-24(25)26-20)16-12-7-5-3-4-6-8-13-17-29-19-28-2/h9-11,14-15H,3-8,12-13,16-19H2,1-2H3,(H2,25,26,27).
What are the key properties of 4-[10-(methoxymethoxy)decyl]-6-methyl-5-phenylmethoxypyrimidin-2-amine?
4-[10-(methoxymethoxy)decyl]-6-methyl-5-phenylmethoxypyrimidin-2-amine has a molecular weight of 415.58 g/mol, XLogP of 5.23, 16 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[10-(methoxymethoxy)decyl]-6-methyl-5-phenylmethoxypyrimidin-2-amine is sourced from PubChem (CID 67328269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).