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

C17H17N7O — CID 117087947

IUPACN-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(C)nc(Nc3ccncn3)n2)cc1
InChIInChI=1S/C17H17N7O/c1-11-9-16(22-14-5-3-13(4-6-14)21-12(2)25)24-17(20-11)23-15-7-8-18-10-19-15/h3-10H,1-2H3,(H,21,25)(H2,18,19,20,22,23,24)
InChIKeyMRJVSDJGGBKKLB-UHFFFAOYSA-N
MW335.37 g/mol
LogP3.02
Rot. Bonds5

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

N-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 117087947) has the molecular formula C17H17N7O and a molecular weight of 335.37 g/mol. Its IUPAC name is N-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID117087947
Molecular FormulaC17H17N7O
Molecular Weight335.37 g/mol
Exact Mass335.15
IUPAC NameN-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(C)nc(Nc3ccncn3)n2)cc1
InChIInChI=1S/C17H17N7O/c1-11-9-16(22-14-5-3-13(4-6-14)21-12(2)25)24-17(20-11)23-15-7-8-18-10-19-15/h3-10H,1-2H3,(H,21,25)(H2,18,19,20,22,23,24)
InChIKeyMRJVSDJGGBKKLB-UHFFFAOYSA-N
XLogP3.02
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.37
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117086885
N-[4-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931519
4-N-(1,3-benzodioxol-5-yl)-6-methyl-2-N-pyrimidin-4-ylpyrimidine-2,4-diamine
CID 117087047
N-[3-[[2-(3-acetamidoanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931499
N-[4-[[2-(2,6-difluoroanilino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931553
N-[3-[[4-(4-chloroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112929812
N-[4-[[4-methyl-6-(2-methylanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112927042
N-[4-[[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112919668
N-[4-[[4-(2,6-difluoroanilino)-6-methylpyrimidin-2-yl]amino]phenyl]acetamide
CID 112931571
N-[4-[[2-(butylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112908412
N-[4-[[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-6-methylpyrimidin-4-yl]amino]phenyl]acetamide
CID 112931544
1-[4-(pyrimidin-4-ylamino)phenyl]ethanone
CID 115028223

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 117087947) is N-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(C)nc(Nc3ccncn3)n2)cc1.
What is the InChIKey of N-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is MRJVSDJGGBKKLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N7O/c1-11-9-16(22-14-5-3-13(4-6-14)21-12(2)25)24-17(20-11)23-15-7-8-18-10-19-15/h3-10H,1-2H3,(H,21,25)(H2,18,19,20,22,23,24).
What are the key properties of N-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 335.37 g/mol, XLogP of 3.02, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 117087947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).