N-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine

C18H25N3 — CID 62744407

IUPACN-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(-c2ccccc2C)nc1C
InChIInChI=1S/C18H25N3/c1-5-11-19-12-10-17-14(3)20-18(21-15(17)4)16-9-7-6-8-13(16)2/h6-9,19H,5,10-12H2,1-4H3
InChIKeyCPDBCRNRRUTKSX-UHFFFAOYSA-N
MW283.42 g/mol
LogP3.61
Rot. Bonds6

About N-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine

N-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine (PubChem CID 62744407) has the molecular formula C18H25N3 and a molecular weight of 283.42 g/mol. Its IUPAC name is N-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine
PubChem CID62744407
Molecular FormulaC18H25N3
Molecular Weight283.42 g/mol
Exact Mass283.20
IUPAC NameN-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine
SMILESCCCNCCc1c(C)nc(-c2ccccc2C)nc1C
InChIInChI=1S/C18H25N3/c1-5-11-19-12-10-17-14(3)20-18(21-15(17)4)16-9-7-6-8-13(16)2/h6-9,19H,5,10-12H2,1-4H3
InChIKeyCPDBCRNRRUTKSX-UHFFFAOYSA-N
XLogP3.61
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.42
LogP ≤ 53.61
H-Bond Donors ≤ 51
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-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine (CID 62744407) is N-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine is CCCNCCc1c(C)nc(-c2ccccc2C)nc1C.
What is the InChIKey of N-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine?
The InChIKey is CPDBCRNRRUTKSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3/c1-5-11-19-12-10-17-14(3)20-18(21-15(17)4)16-9-7-6-8-13(16)2/h6-9,19H,5,10-12H2,1-4H3.
What are the key properties of N-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine?
N-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine has a molecular weight of 283.42 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62744407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).