2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine

C15H20N4 — CID 3233677

IUPAC2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)Cc1ccccc1-c1nccc(N(C)C)n1
InChIInChI=1S/C15H20N4/c1-18(2)11-12-7-5-6-8-13(12)15-16-10-9-14(17-15)19(3)4/h5-10H,11H2,1-4H3
InChIKeyJLLCLFPJMLIDQM-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.27
Rot. Bonds4

About 2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine

2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine (PubChem CID 3233677) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine.

Molecular Properties

Compound Name2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine
PubChem CID3233677
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine
SMILESCN(C)Cc1ccccc1-c1nccc(N(C)C)n1
InChIInChI=1S/C15H20N4/c1-18(2)11-12-7-5-6-8-13(12)15-16-10-9-14(17-15)19(3)4/h5-10H,11H2,1-4H3
InChIKeyJLLCLFPJMLIDQM-UHFFFAOYSA-N
XLogP2.27
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine?
The IUPAC name of 2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine (CID 3233677) is 2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine.
What is the SMILES notation for 2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine?
The canonical SMILES for 2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine is CN(C)Cc1ccccc1-c1nccc(N(C)C)n1.
What is the InChIKey of 2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine?
The InChIKey is JLLCLFPJMLIDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4/c1-18(2)11-12-7-5-6-8-13(12)15-16-10-9-14(17-15)19(3)4/h5-10H,11H2,1-4H3.
What are the key properties of 2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine?
2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine has a molecular weight of 256.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(dimethylamino)methyl]phenyl]-N,N-dimethylpyrimidin-4-amine is sourced from PubChem (CID 3233677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).