3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine

C17H23N3 — CID 62746134

IUPAC3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1c(C)nc(-c2ccccc2C)nc1C
InChIInChI=1S/C17H23N3/c1-12-8-5-6-9-15(12)17-19-13(2)16(14(3)20-17)10-7-11-18-4/h5-6,8-9,18H,7,10-11H2,1-4H3
InChIKeyWTCNBHWKWMNTLO-UHFFFAOYSA-N
MW269.39 g/mol
LogP3.22
Rot. Bonds5

About 3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine

3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine (PubChem CID 62746134) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine.

Molecular Properties

Compound Name3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine
PubChem CID62746134
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine
SMILESCNCCCc1c(C)nc(-c2ccccc2C)nc1C
InChIInChI=1S/C17H23N3/c1-12-8-5-6-9-15(12)17-19-13(2)16(14(3)20-17)10-7-11-18-4/h5-6,8-9,18H,7,10-11H2,1-4H3
InChIKeyWTCNBHWKWMNTLO-UHFFFAOYSA-N
XLogP3.22
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.39
LogP ≤ 53.22
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 3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine?
The IUPAC name of 3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine (CID 62746134) is 3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine.
What is the SMILES notation for 3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine?
The canonical SMILES for 3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine is CNCCCc1c(C)nc(-c2ccccc2C)nc1C.
What is the InChIKey of 3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine?
The InChIKey is WTCNBHWKWMNTLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-8-5-6-9-15(12)17-19-13(2)16(14(3)20-17)10-7-11-18-4/h5-6,8-9,18H,7,10-11H2,1-4H3.
What are the key properties of 3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine?
3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine has a molecular weight of 269.39 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,6-dimethyl-2-(2-methylphenyl)pyrimidin-5-yl]-N-methylpropan-1-amine is sourced from PubChem (CID 62746134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).