N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine

C22H19N5 — CID 4050048

IUPACN-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
SMILESc1ccc(CCNc2cc(-c3ccccn3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C22H19N5/c1-2-8-17(9-3-1)12-15-25-21-16-20(18-10-4-6-13-23-18)26-22(27-21)19-11-5-7-14-24-19/h1-11,13-14,16H,12,15H2,(H,25,26,27)
InChIKeyYHLNPCUJBWWKBF-UHFFFAOYSA-N
MW353.43 g/mol
LogP4.26
Rot. Bonds6

About N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine

N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine (PubChem CID 4050048) has the molecular formula C22H19N5 and a molecular weight of 353.43 g/mol. Its IUPAC name is N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
PubChem CID4050048
Molecular FormulaC22H19N5
Molecular Weight353.43 g/mol
Exact Mass353.16
IUPAC NameN-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine
SMILESc1ccc(CCNc2cc(-c3ccccn3)nc(-c3ccccn3)n2)cc1
InChIInChI=1S/C22H19N5/c1-2-8-17(9-3-1)12-15-25-21-16-20(18-10-4-6-13-23-18)26-22(27-21)19-11-5-7-14-24-19/h1-11,13-14,16H,12,15H2,(H,25,26,27)
InChIKeyYHLNPCUJBWWKBF-UHFFFAOYSA-N
XLogP4.26
TPSA63.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[[6-(2-phenylethylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963655
N,6-dipropyl-2-pyridin-2-ylpyrimidin-4-amine
CID 62192681
2,4,6-tripyridin-2-ylpyrimidine
CID 70005539
N-benzyl-2-pyridin-2-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 1475716
2-phenyl-N-prop-2-enyl-6-pyridin-2-ylpyrimidin-4-amine
CID 4533537
N-(2-phenylethyl)-4-[6-[4-(2-phenylethylamino)phenyl]-3-pyridin-2-yl-1,2,4-triazin-5-yl]aniline
CID 122393685
4-[2-(pyridin-2-ylamino)ethyl]benzoic acid
CID 82513444
3-[(2-pyridin-2-yl-6-pyridin-4-ylpyrimidin-4-yl)amino]propan-1-ol
CID 5069912
6-nitro-N-(2-phenylethyl)-2-pyridin-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 18460262
6-methyl-4-N-(2-phenylethyl)-2-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 112919252
N-(2-phenylethyl)-2-pyridin-2-yl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-amine
CID 18686833
N-(furan-2-ylmethyl)-6-phenyl-2-pyridin-2-ylpyrimidin-4-amine
CID 3314360

Frequently Asked Questions

What is the IUPAC name of N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
The IUPAC name of N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine (CID 4050048) is N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine.
What is the SMILES notation for N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
The canonical SMILES for N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine is c1ccc(CCNc2cc(-c3ccccn3)nc(-c3ccccn3)n2)cc1.
What is the InChIKey of N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
The InChIKey is YHLNPCUJBWWKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N5/c1-2-8-17(9-3-1)12-15-25-21-16-20(18-10-4-6-13-23-18)26-22(27-21)19-11-5-7-14-24-19/h1-11,13-14,16H,12,15H2,(H,25,26,27).
What are the key properties of N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine?
N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine has a molecular weight of 353.43 g/mol, XLogP of 4.26, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenylethyl)-2,6-dipyridin-2-ylpyrimidin-4-amine is sourced from PubChem (CID 4050048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).