N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide

C25H24N6O2 — CID 122317237

IUPACN-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
SMILESCc1nc(Nc2ccc(NC(=O)COCc3ccccc3)cc2)cc(Nc2ccccn2)n1
InChIInChI=1S/C25H24N6O2/c1-18-27-23(15-24(28-18)31-22-9-5-6-14-26-22)29-20-10-12-21(13-11-20)30-25(32)17-33-16-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3,(H,30,32)(H2,26,27,28,29,31)
InChIKeyITBBBWQXHMGSBX-UHFFFAOYSA-N
MW440.51 g/mol
LogP4.82
Rot. Bonds9

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

N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide (PubChem CID 122317237) has the molecular formula C25H24N6O2 and a molecular weight of 440.51 g/mol. Its IUPAC name is N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
PubChem CID122317237
Molecular FormulaC25H24N6O2
Molecular Weight440.51 g/mol
Exact Mass440.20
IUPAC NameN-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
SMILESCc1nc(Nc2ccc(NC(=O)COCc3ccccc3)cc2)cc(Nc2ccccn2)n1
InChIInChI=1S/C25H24N6O2/c1-18-27-23(15-24(28-18)31-22-9-5-6-14-26-22)29-20-10-12-21(13-11-20)30-25(32)17-33-16-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3,(H,30,32)(H2,26,27,28,29,31)
InChIKeyITBBBWQXHMGSBX-UHFFFAOYSA-N
XLogP4.82
TPSA101.06 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.51
LogP ≤ 54.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
CID 122297755
2-phenylmethoxy-N-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122316019
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 122317010
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
CID 122296431
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]propanamide
CID 122316969
2-cyclopentyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317160
benzyl N-[2-oxo-2-[4-[[6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]anilino]ethyl]carbamate
CID 122316030
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide
CID 122295935
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 50748504
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]pyridine-4-carboxamide
CID 122317045
2-(1-methylindol-3-yl)-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 122317256
4-tert-butyl-N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]benzamide
CID 122316986

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide (CID 122317237) is N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide is Cc1nc(Nc2ccc(NC(=O)COCc3ccccc3)cc2)cc(Nc2ccccn2)n1.
What is the InChIKey of N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide?
The InChIKey is ITBBBWQXHMGSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2/c1-18-27-23(15-24(28-18)31-22-9-5-6-14-26-22)29-20-10-12-21(13-11-20)30-25(32)17-33-16-19-7-3-2-4-8-19/h2-15H,16-17H2,1H3,(H,30,32)(H2,26,27,28,29,31).
What are the key properties of N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide?
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide has a molecular weight of 440.51 g/mol, XLogP of 4.82, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 122317237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).