2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

C18H18N4 — CID 133442644

IUPAC2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCN(Cc1ccccn1)c1ccnc(Cc2ccccc2)n1
InChIInChI=1S/C18H18N4/c1-22(14-16-9-5-6-11-19-16)18-10-12-20-17(21-18)13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3
InChIKeyDTTJVNTYMCDREC-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.10
Rot. Bonds5

About 2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine

2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (PubChem CID 133442644) has the molecular formula C18H18N4 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
PubChem CID133442644
Molecular FormulaC18H18N4
Molecular Weight290.37 g/mol
Exact Mass290.15
IUPAC Name2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
SMILESCN(Cc1ccccn1)c1ccnc(Cc2ccccc2)n1
InChIInChI=1S/C18H18N4/c1-22(14-16-9-5-6-11-19-16)18-10-12-20-17(21-18)13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3
InChIKeyDTTJVNTYMCDREC-UHFFFAOYSA-N
XLogP3.10
TPSA41.91 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-benzyl-4-N-methyl-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112890797
2-N,6-N-dimethyl-2-N,6-N-bis(pyridin-2-ylmethyl)pyrazine-2,6-diamine
CID 100671089
4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80788617
2-benzylpyrimidine
CID 13143744
5-(chloromethyl)-N-methyl-N-(pyridin-2-ylmethyl)pyridin-2-amine
CID 61256200
6-chloro-N-methyl-2-propyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine
CID 80939812
N-methyl-6-(methylaminomethyl)-N-(pyridin-2-ylmethyl)pyrazin-2-amine
CID 66456024
2-benzyl-4-methylpyrimidine;ethane
CID 142020673
6-ethoxy-2-N-methyl-2-N-(pyridin-2-ylmethyl)pyridine-2,5-diamine
CID 43564952
2-[(2-benzylpyrimidin-4-yl)-methylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 133442254
[6-[methyl(pyridin-2-ylmethyl)amino]pyrazin-2-yl]methanol
CID 66467294
2-[methyl(pyridin-2-ylmethyl)amino]pyridine-4-carbonitrile
CID 43565692

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine (CID 133442644) is 2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is CN(Cc1ccccn1)c1ccnc(Cc2ccccc2)n1.
What is the InChIKey of 2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is DTTJVNTYMCDREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4/c1-22(14-16-9-5-6-11-19-16)18-10-12-20-17(21-18)13-15-7-3-2-4-8-15/h2-12H,13-14H2,1H3.
What are the key properties of 2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine?
2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 290.37 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-N-methyl-N-(pyridin-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 133442644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).