N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide

C20H20FN5O — CID 112861452

IUPACN-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(NCCc3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C20H20FN5O/c1-14(27)25-17-6-8-18(9-7-17)26-20-12-19(23-13-24-20)22-11-10-15-2-4-16(21)5-3-15/h2-9,12-13H,10-11H2,1H3,(H,25,27)(H2,22,23,24,26)
InChIKeyZWVBZLBKEJJTGH-UHFFFAOYSA-N
MW365.41 g/mol
LogP3.97
Rot. Bonds7

About N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide

N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide (PubChem CID 112861452) has the molecular formula C20H20FN5O and a molecular weight of 365.41 g/mol. Its IUPAC name is N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
PubChem CID112861452
Molecular FormulaC20H20FN5O
Molecular Weight365.41 g/mol
Exact Mass365.17
IUPAC NameN-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(Nc2cc(NCCc3ccc(F)cc3)ncn2)cc1
InChIInChI=1S/C20H20FN5O/c1-14(27)25-17-6-8-18(9-7-17)26-20-12-19(23-13-24-20)22-11-10-15-2-4-16(21)5-3-15/h2-9,12-13H,10-11H2,1H3,(H,25,27)(H2,22,23,24,26)
InChIKeyZWVBZLBKEJJTGH-UHFFFAOYSA-N
XLogP3.97
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.41
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[[6-(2-phenylethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861123
4-N-(4-bromophenyl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861434
N-[4-[[6-[2-(2-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861347
N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]acetamide
CID 112983436
N-[4-[[4-[2-(4-fluorophenyl)ethylamino]pyrimidin-2-yl]amino]phenyl]acetamide
CID 112894757
N-[3-[[6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112861757
N-[4-[[6-[(4-chlorophenyl)methylamino]pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860025
4-N-(1,3-benzodioxol-5-yl)-6-N-[2-(4-fluorophenyl)ethyl]pyrimidine-4,6-diamine
CID 112861463
6-N-butyl-4-N-(4-fluorophenyl)pyrimidine-4,6-diamine
CID 112855174
N-[4-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]phenyl]acetamide
CID 112860976
5-(4-acetamidoanilino)-N-[2-(4-fluorophenyl)ethyl]pyrazine-2-carboxamide
CID 109284480
N-(3-chloro-4-methylphenyl)-6-[2-(4-fluorophenyl)ethylamino]pyrimidine-4-carboxamide
CID 109351050

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide (CID 112861452) is N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide is CC(=O)Nc1ccc(Nc2cc(NCCc3ccc(F)cc3)ncn2)cc1.
What is the InChIKey of N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide?
The InChIKey is ZWVBZLBKEJJTGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN5O/c1-14(27)25-17-6-8-18(9-7-17)26-20-12-19(23-13-24-20)22-11-10-15-2-4-16(21)5-3-15/h2-9,12-13H,10-11H2,1H3,(H,25,27)(H2,22,23,24,26).
What are the key properties of N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide?
N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide has a molecular weight of 365.41 g/mol, XLogP of 3.97, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-[2-(4-fluorophenyl)ethylamino]pyrimidin-4-yl]amino]phenyl]acetamide is sourced from PubChem (CID 112861452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).