4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one

C23H21Cl2N7O2 — CID 155471347

IUPAC4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one
SMILESCCc1ncnc(NCCc2ccc(Oc3ccc(Cl)cc3-n3ccc(N)nc3=O)nc2)c1Cl
InChIInChI=1S/C23H21Cl2N7O2/c1-2-16-21(25)22(30-13-29-16)27-9-7-14-3-6-20(28-12-14)34-18-5-4-15(24)11-17(18)32-10-8-19(26)31-23(32)33/h3-6,8,10-13H,2,7,9H2,1H3,(H2,26,31,33)(H,27,29,30)
InChIKeyMNYKBVPZJSSQOU-UHFFFAOYSA-N
MW498.37 g/mol
LogP4.32
Rot. Bonds8

About 4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one

4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one (PubChem CID 155471347) has the molecular formula C23H21Cl2N7O2 and a molecular weight of 498.37 g/mol. Its IUPAC name is 4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one.

Molecular Properties

Compound Name4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one
PubChem CID155471347
Molecular FormulaC23H21Cl2N7O2
Molecular Weight498.37 g/mol
Exact Mass497.11
IUPAC Name4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one
SMILESCCc1ncnc(NCCc2ccc(Oc3ccc(Cl)cc3-n3ccc(N)nc3=O)nc2)c1Cl
InChIInChI=1S/C23H21Cl2N7O2/c1-2-16-21(25)22(30-13-29-16)27-9-7-14-3-6-20(28-12-14)34-18-5-4-15(24)11-17(18)32-10-8-19(26)31-23(32)33/h3-6,8,10-13H,2,7,9H2,1H3,(H2,26,31,33)(H,27,29,30)
InChIKeyMNYKBVPZJSSQOU-UHFFFAOYSA-N
XLogP4.32
TPSA120.84 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.37
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one with MolForge

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Launch Full Analysis

Related Compounds

5-chloro-N-[2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]-6-ethylpyrimidin-4-amine
CID 90131212
5-chloro-N-[2-[6-(2,4-dichlorophenoxy)-3-pyridinyl]ethyl]-6-(difluoromethyl)pyrimidin-4-amine
CID 90131296
5-chloro-N-[2-[4-(3-chloro-5-methylphenoxy)phenyl]ethyl]-6-ethylpyrimidin-4-amine
CID 118344893
5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine
CID 171782361
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-6-ethylpyrimidin-4-amine;hydrochloride
CID 162332013
N-[2-(4-benzyl-2-methylphenoxy)ethyl]-5-chloro-6-ethylpyrimidin-4-amine
CID 67895073
5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine
CID 155176710
1-[6-(2-bromo-4-chlorophenoxy)-3-pyridinyl]butan-2-amine
CID 80640546
1-(5-chloro-2-methylphenyl)-N-[2-(4-methoxyphenyl)ethyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 7205478
4-N-[(4-chlorophenyl)methyl]-6-N-[2-(3,4-dimethoxyphenyl)ethyl]pyrimidine-4,5,6-triamine
CID 22541701
7-chloro-2-[2-[4-[(5-chloro-2-pyridinyl)oxy]phenyl]ethylamino]-3-methylquinazolin-4-one
CID 134135450
N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine
CID 117063434

Frequently Asked Questions

What is the IUPAC name of 4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one?
The IUPAC name of 4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one (CID 155471347) is 4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one.
What is the SMILES notation for 4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one?
The canonical SMILES for 4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one is CCc1ncnc(NCCc2ccc(Oc3ccc(Cl)cc3-n3ccc(N)nc3=O)nc2)c1Cl.
What is the InChIKey of 4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one?
The InChIKey is MNYKBVPZJSSQOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2N7O2/c1-2-16-21(25)22(30-13-29-16)27-9-7-14-3-6-20(28-12-14)34-18-5-4-15(24)11-17(18)32-10-8-19(26)31-23(32)33/h3-6,8,10-13H,2,7,9H2,1H3,(H2,26,31,33)(H,27,29,30).
What are the key properties of 4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one?
4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one has a molecular weight of 498.37 g/mol, XLogP of 4.32, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-1-[5-chloro-2-[[5-[2-[(5-chloro-6-ethylpyrimidin-4-yl)amino]ethyl]-2-pyridinyl]oxy]phenyl]pyrimidin-2-one is sourced from PubChem (CID 155471347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).