2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide

C24H22N6O2 — CID 122316019

IUPAC2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESO=C(COCc1ccccc1)Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1
InChIInChI=1S/C24H22N6O2/c31-24(16-32-15-18-6-2-1-3-7-18)29-20-11-9-19(10-12-20)28-22-14-23(27-17-26-22)30-21-8-4-5-13-25-21/h1-14,17H,15-16H2,(H,29,31)(H2,25,26,27,28,30)
InChIKeyWGFBJLNQUSVMLK-UHFFFAOYSA-N
MW426.48 g/mol
LogP4.51
Rot. Bonds9

About 2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide

2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 122316019) has the molecular formula C24H22N6O2 and a molecular weight of 426.48 g/mol. Its IUPAC name is 2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound Name2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID122316019
Molecular FormulaC24H22N6O2
Molecular Weight426.48 g/mol
Exact Mass426.18
IUPAC Name2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESO=C(COCc1ccccc1)Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1
InChIInChI=1S/C24H22N6O2/c31-24(16-32-15-18-6-2-1-3-7-18)29-20-11-9-19(10-12-20)28-22-14-23(27-17-26-22)30-21-8-4-5-13-25-21/h1-14,17H,15-16H2,(H,29,31)(H2,25,26,27,28,30)
InChIKeyWGFBJLNQUSVMLK-UHFFFAOYSA-N
XLogP4.51
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.48
LogP ≤ 54.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
CID 122317237
benzyl N-[2-oxo-2-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]anilino]ethyl]carbamate
CID 122316030
2-(4-chlorophenyl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122315807
2-(4-fluorophenyl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122315816
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
CID 122297755
2-pyrazol-1-yl-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316044
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 122317010
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
6-N-phenyl-4-N-pyridin-2-ylpyrimidine-4,6-diamine
CID 117085780
2-(6-oxopyridazin-1-yl)-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316049
N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]cyclopropanecarboxamide
CID 122315829
1-(4-tert-butylphenyl)-3-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]urea
CID 122316135

Frequently Asked Questions

What is the IUPAC name of 2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of 2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 122316019) is 2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for 2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for 2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is O=C(COCc1ccccc1)Nc1ccc(Nc2cc(Nc3ccccn3)ncn2)cc1.
What is the InChIKey of 2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is WGFBJLNQUSVMLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N6O2/c31-24(16-32-15-18-6-2-1-3-7-18)29-20-11-9-19(10-12-20)28-22-14-23(27-17-26-22)30-21-8-4-5-13-25-21/h1-14,17H,15-16H2,(H,29,31)(H2,25,26,27,28,30).
What are the key properties of 2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 426.48 g/mol, XLogP of 4.51, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 122316019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).