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

C16H15N7O — CID 117086885

IUPACN-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccnc(Nc3ccncn3)n2)cc1
InChIInChI=1S/C16H15N7O/c1-11(24)20-12-2-4-13(5-3-12)21-15-7-9-18-16(23-15)22-14-6-8-17-10-19-14/h2-10H,1H3,(H,20,24)(H2,17,18,19,21,22,23)
InChIKeyASDFNTSOJYVNFG-UHFFFAOYSA-N
MW321.34 g/mol
LogP2.71
Rot. Bonds5

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

N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 117086885) has the molecular formula C16H15N7O and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID117086885
Molecular FormulaC16H15N7O
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC NameN-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2ccnc(Nc3ccncn3)n2)cc1
InChIInChI=1S/C16H15N7O/c1-11(24)20-12-2-4-13(5-3-12)21-15-7-9-18-16(23-15)22-14-6-8-17-10-19-14/h2-10H,1H3,(H,20,24)(H2,17,18,19,21,22,23)
InChIKeyASDFNTSOJYVNFG-UHFFFAOYSA-N
XLogP2.71
TPSA104.72 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-[4-[[6-methyl-2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117087947
N-[4-[[2-(pyrazin-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117094486
N-[4-[[2-(4-acetylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112905696
N-[4-[[4-(3,5-dichloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112905832
N-[4-[[4-(pyridin-4-ylmethylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112893768
1-[4-(pyrimidin-4-ylamino)phenyl]ethanone
CID 115028223
N-[4-[[2-(isoquinolin-1-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 117086853
N-[4-[[4-(3-chloroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112903681
N-[4-[[4-(2,6-difluoroanilino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112905840
N-[3-[[2-(4-propan-2-ylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112903173
N-[4-[[2-[2-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112905487
N-[4-[[4-(butan-2-ylamino)pyrimidin-2-yl]amino]phenyl]acetamide
CID 112883612

Frequently Asked Questions

What is the IUPAC name of N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 117086885) is N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2ccnc(Nc3ccncn3)n2)cc1.
What is the InChIKey of N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is ASDFNTSOJYVNFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N7O/c1-11(24)20-12-2-4-13(5-3-12)21-15-7-9-18-16(23-15)22-14-6-8-17-10-19-14/h2-10H,1H3,(H,20,24)(H2,17,18,19,21,22,23).
What are the key properties of N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 321.34 g/mol, XLogP of 2.71, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(pyrimidin-4-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 117086885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).