N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide

C22H25N5O2 — CID 122296431

IUPACN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
SMILESCc1nc(Nc2ccc(NC(=O)COCc3ccccc3)cc2)cc(N(C)C)n1
InChIInChI=1S/C22H25N5O2/c1-16-23-20(13-21(24-16)27(2)3)25-18-9-11-19(12-10-18)26-22(28)15-29-14-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyLTYLOOIYHWKTNG-UHFFFAOYSA-N
MW391.48 g/mol
LogP3.75
Rot. Bonds8

About N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide

N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide (PubChem CID 122296431) has the molecular formula C22H25N5O2 and a molecular weight of 391.48 g/mol. Its IUPAC name is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
PubChem CID122296431
Molecular FormulaC22H25N5O2
Molecular Weight391.48 g/mol
Exact Mass391.20
IUPAC NameN-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
SMILESCc1nc(Nc2ccc(NC(=O)COCc3ccccc3)cc2)cc(N(C)C)n1
InChIInChI=1S/C22H25N5O2/c1-16-23-20(13-21(24-16)27(2)3)25-18-9-11-19(12-10-18)26-22(28)15-29-14-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3,(H,26,28)(H,23,24,25)
InChIKeyLTYLOOIYHWKTNG-UHFFFAOYSA-N
XLogP3.75
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.48
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
CID 122297755
N-[4-[[2-methyl-6-(pyridin-2-ylamino)pyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide
CID 122317237
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-4-phenylbutanamide
CID 122296273
N-[4-[(6-methyl-2-piperidin-1-ylpyrimidin-4-yl)amino]phenyl]-2-phenylmethoxyacetamide
CID 122295935
N-[4-[[6-[benzyl(methyl)amino]-2-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112872267
N-[4-[[2-methyl-6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-2-phenylacetamide
CID 50748504
N-phenyl-2-phenylmethoxyacetamide
CID 15220156
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-methylpropanamide
CID 50748403
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
4-[(2-phenylmethoxyacetyl)amino]benzoic acid
CID 14054017
N-[4-(hydroxymethyl)phenyl]-2-phenylmethoxyacetamide
CID 64795067

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide?
The IUPAC name of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide (CID 122296431) is N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide?
The canonical SMILES for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide is Cc1nc(Nc2ccc(NC(=O)COCc3ccccc3)cc2)cc(N(C)C)n1.
What is the InChIKey of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide?
The InChIKey is LTYLOOIYHWKTNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2/c1-16-23-20(13-21(24-16)27(2)3)25-18-9-11-19(12-10-18)26-22(28)15-29-14-17-7-5-4-6-8-17/h4-13H,14-15H2,1-3H3,(H,26,28)(H,23,24,25).
What are the key properties of N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide?
N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide has a molecular weight of 391.48 g/mol, XLogP of 3.75, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(dimethylamino)-2-methylpyrimidin-4-yl]amino]phenyl]-2-phenylmethoxyacetamide is sourced from PubChem (CID 122296431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).