2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine

C16H21N3 — CID 116900149

IUPAC2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nccc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C16H21N3/c1-11-6-7-13(12(2)10-11)14-8-9-18-15(19-14)16(3,4)17-5/h6-10,17H,1-5H3
InChIKeyWQPZQZDYEBNWOZ-UHFFFAOYSA-N
MW255.36 g/mol
LogP3.21
Rot. Bonds3

About 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine

2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine (PubChem CID 116900149) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
PubChem CID116900149
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine
SMILESCNC(C)(C)c1nccc(-c2ccc(C)cc2C)n1
InChIInChI=1S/C16H21N3/c1-11-6-7-13(12(2)10-11)14-8-9-18-15(19-14)16(3,4)17-5/h6-10,17H,1-5H3
InChIKeyWQPZQZDYEBNWOZ-UHFFFAOYSA-N
XLogP3.21
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine?
The IUPAC name of 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine (CID 116900149) is 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine?
The canonical SMILES for 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine is CNC(C)(C)c1nccc(-c2ccc(C)cc2C)n1.
What is the InChIKey of 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine?
The InChIKey is WQPZQZDYEBNWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-11-6-7-13(12(2)10-11)14-8-9-18-15(19-14)16(3,4)17-5/h6-10,17H,1-5H3.
What are the key properties of 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine?
2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine has a molecular weight of 255.36 g/mol, XLogP of 3.21, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4-dimethylphenyl)pyrimidin-2-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 116900149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).