N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide

C20H20N6O2 — CID 112866710

IUPACN-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(Nc3cccc(NC(C)=O)c3)ncn2)c1
InChIInChI=1S/C20H20N6O2/c1-13(27)23-15-5-3-7-17(9-15)25-19-11-20(22-12-21-19)26-18-8-4-6-16(10-18)24-14(2)28/h3-12H,1-2H3,(H,23,27)(H,24,28)(H2,21,22,25,26)
InChIKeyAQRAOCDBNRNIRA-UHFFFAOYSA-N
MW376.42 g/mol
LogP3.88
Rot. Bonds6

About N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide

N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112866710) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112866710
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC NameN-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1cccc(Nc2cc(Nc3cccc(NC(C)=O)c3)ncn2)c1
InChIInChI=1S/C20H20N6O2/c1-13(27)23-15-5-3-7-17(9-15)25-19-11-20(22-12-21-19)26-18-8-4-6-16(10-18)24-14(2)28/h3-12H,1-2H3,(H,23,27)(H,24,28)(H2,21,22,25,26)
InChIKeyAQRAOCDBNRNIRA-UHFFFAOYSA-N
XLogP3.88
TPSA108.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 53.88
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[[6-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112864949
N-[3-[[6-(propan-2-ylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112854630
N-[3-[[6-(4-chloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865842
N-[3-[[6-(2,6-dichloroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112866731
methyl 3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]benzoate
CID 112866713
N-[3-[[6-(4-ethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865411
N-[3-[[6-(2-fluoroanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865645
N-[3-[[6-(2,5-dimethylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865208
6-(3-acetamidoanilino)-N-phenylpyrimidine-4-carboxamide
CID 109355847
N-[3-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860975
N-[3-[[6-(2-propan-2-ylanilino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112865512
6-(3-acetamidoanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109353458

Frequently Asked Questions

What is the IUPAC name of N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide (CID 112866710) is N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1cccc(Nc2cc(Nc3cccc(NC(C)=O)c3)ncn2)c1.
What is the InChIKey of N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is AQRAOCDBNRNIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c1-13(27)23-15-5-3-7-17(9-15)25-19-11-20(22-12-21-19)26-18-8-4-6-16(10-18)24-14(2)28/h3-12H,1-2H3,(H,23,27)(H,24,28)(H2,21,22,25,26).
What are the key properties of N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide?
N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 376.42 g/mol, XLogP of 3.88, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[6-(3-acetamidoanilino)pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112866710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).