2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine

C17H23N3 — CID 62745455

IUPAC2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(Cc2ccc(C)cc2)nc1C
InChIInChI=1S/C17H23N3/c1-12-5-7-15(8-6-12)11-17-19-13(2)16(9-10-18-4)14(3)20-17/h5-8,18H,9-11H2,1-4H3
InChIKeyNXHCAHVVHGCHJG-UHFFFAOYSA-N
MW269.39 g/mol
LogP2.75
Rot. Bonds5

About 2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine

2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine (PubChem CID 62745455) has the molecular formula C17H23N3 and a molecular weight of 269.39 g/mol. Its IUPAC name is 2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine.

Molecular Properties

Compound Name2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine
PubChem CID62745455
Molecular FormulaC17H23N3
Molecular Weight269.39 g/mol
Exact Mass269.19
IUPAC Name2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine
SMILESCNCCc1c(C)nc(Cc2ccc(C)cc2)nc1C
InChIInChI=1S/C17H23N3/c1-12-5-7-15(8-6-12)11-17-19-13(2)16(9-10-18-4)14(3)20-17/h5-8,18H,9-11H2,1-4H3
InChIKeyNXHCAHVVHGCHJG-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine?
The IUPAC name of 2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine (CID 62745455) is 2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine.
What is the SMILES notation for 2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine?
The canonical SMILES for 2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine is CNCCc1c(C)nc(Cc2ccc(C)cc2)nc1C.
What is the InChIKey of 2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine?
The InChIKey is NXHCAHVVHGCHJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3/c1-12-5-7-15(8-6-12)11-17-19-13(2)16(9-10-18-4)14(3)20-17/h5-8,18H,9-11H2,1-4H3.
What are the key properties of 2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine?
2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine has a molecular weight of 269.39 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4,6-dimethyl-2-[(4-methylphenyl)methyl]pyrimidin-5-yl]-N-methylethanamine is sourced from PubChem (CID 62745455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).