N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine

C29H39N3 — CID 59340739

IUPACN-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine
SMILESCCCCCCCCCCCCN(C)c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C29H39N3/c1-3-4-5-6-7-8-9-10-11-18-23-32(2)28-24-27(25-19-14-12-15-20-25)30-29(31-28)26-21-16-13-17-22-26/h12-17,19-22,24H,3-11,18,23H2,1-2H3
InChIKeyUPBURRAXFOFKKN-UHFFFAOYSA-N
MW429.65 g/mol
LogP8.17
Rot. Bonds14

About N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine

N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine (PubChem CID 59340739) has the molecular formula C29H39N3 and a molecular weight of 429.65 g/mol. Its IUPAC name is N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine.

Molecular Properties

Compound NameN-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine
PubChem CID59340739
Molecular FormulaC29H39N3
Molecular Weight429.65 g/mol
Exact Mass429.31
IUPAC NameN-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine
SMILESCCCCCCCCCCCCN(C)c1cc(-c2ccccc2)nc(-c2ccccc2)n1
InChIInChI=1S/C29H39N3/c1-3-4-5-6-7-8-9-10-11-18-23-32(2)28-24-27(25-19-14-12-15-20-25)30-29(31-28)26-21-16-13-17-22-26/h12-17,19-22,24H,3-11,18,23H2,1-2H3
InChIKeyUPBURRAXFOFKKN-UHFFFAOYSA-N
XLogP8.17
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.65
LogP ≤ 58.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine?
The IUPAC name of N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine (CID 59340739) is N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine.
What is the SMILES notation for N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine?
The canonical SMILES for N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine is CCCCCCCCCCCCN(C)c1cc(-c2ccccc2)nc(-c2ccccc2)n1.
What is the InChIKey of N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine?
The InChIKey is UPBURRAXFOFKKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H39N3/c1-3-4-5-6-7-8-9-10-11-18-23-32(2)28-24-27(25-19-14-12-15-20-25)30-29(31-28)26-21-16-13-17-22-26/h12-17,19-22,24H,3-11,18,23H2,1-2H3.
What are the key properties of N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine?
N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine has a molecular weight of 429.65 g/mol, XLogP of 8.17, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-dodecyl-N-methyl-2,6-diphenylpyrimidin-4-amine is sourced from PubChem (CID 59340739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).