4-benzyl-N,N-dimethylpyrimidin-2-amine

C13H15N3 — CID 10727322

IUPAC4-benzyl-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(Cc2ccccc2)n1
InChIInChI=1S/C13H15N3/c1-16(2)13-14-9-8-12(15-13)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyWGHLROAVYMNIGB-UHFFFAOYSA-N
MW213.28 g/mol
LogP2.13
Rot. Bonds3

About 4-benzyl-N,N-dimethylpyrimidin-2-amine

4-benzyl-N,N-dimethylpyrimidin-2-amine (PubChem CID 10727322) has the molecular formula C13H15N3 and a molecular weight of 213.28 g/mol. Its IUPAC name is 4-benzyl-N,N-dimethylpyrimidin-2-amine.

Molecular Properties

Compound Name4-benzyl-N,N-dimethylpyrimidin-2-amine
PubChem CID10727322
Molecular FormulaC13H15N3
Molecular Weight213.28 g/mol
Exact Mass213.13
IUPAC Name4-benzyl-N,N-dimethylpyrimidin-2-amine
SMILESCN(C)c1nccc(Cc2ccccc2)n1
InChIInChI=1S/C13H15N3/c1-16(2)13-14-9-8-12(15-13)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3
InChIKeyWGHLROAVYMNIGB-UHFFFAOYSA-N
XLogP2.13
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N,N-dimethylpyrimidin-2-amine?
The IUPAC name of 4-benzyl-N,N-dimethylpyrimidin-2-amine (CID 10727322) is 4-benzyl-N,N-dimethylpyrimidin-2-amine.
What is the SMILES notation for 4-benzyl-N,N-dimethylpyrimidin-2-amine?
The canonical SMILES for 4-benzyl-N,N-dimethylpyrimidin-2-amine is CN(C)c1nccc(Cc2ccccc2)n1.
What is the InChIKey of 4-benzyl-N,N-dimethylpyrimidin-2-amine?
The InChIKey is WGHLROAVYMNIGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3/c1-16(2)13-14-9-8-12(15-13)10-11-6-4-3-5-7-11/h3-9H,10H2,1-2H3.
What are the key properties of 4-benzyl-N,N-dimethylpyrimidin-2-amine?
4-benzyl-N,N-dimethylpyrimidin-2-amine has a molecular weight of 213.28 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N,N-dimethylpyrimidin-2-amine is sourced from PubChem (CID 10727322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).