5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine

C18H18Cl3N5O — CID 155176710

IUPAC5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine
SMILESCCc1ncnc(NCCOc2cc(-c3ccc(Cl)cc3Cl)n(C)n2)c1Cl
InChIInChI=1S/C18H18Cl3N5O/c1-3-14-17(21)18(24-10-23-14)22-6-7-27-16-9-15(26(2)25-16)12-5-4-11(19)8-13(12)20/h4-5,8-10H,3,6-7H2,1-2H3,(H,22,23,24)
InChIKeyVQNNIKHMUQZXER-UHFFFAOYSA-N
MW426.74 g/mol
LogP4.89
Rot. Bonds7

About 5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine

5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine (PubChem CID 155176710) has the molecular formula C18H18Cl3N5O and a molecular weight of 426.74 g/mol. Its IUPAC name is 5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine.

Molecular Properties

Compound Name5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine
PubChem CID155176710
Molecular FormulaC18H18Cl3N5O
Molecular Weight426.74 g/mol
Exact Mass425.06
IUPAC Name5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine
SMILESCCc1ncnc(NCCOc2cc(-c3ccc(Cl)cc3Cl)n(C)n2)c1Cl
InChIInChI=1S/C18H18Cl3N5O/c1-3-14-17(21)18(24-10-23-14)22-6-7-27-16-9-15(26(2)25-16)12-5-4-11(19)8-13(12)20/h4-5,8-10H,3,6-7H2,1-2H3,(H,22,23,24)
InChIKeyVQNNIKHMUQZXER-UHFFFAOYSA-N
XLogP4.89
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.74
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-chloro-6-ethyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine;1,2-dihydroperoxyethyne
CID 158672515
N'-(5-chloro-6-ethylpyrimidin-4-yl)-N-ethylethane-1,2-diamine
CID 117063434
5-chloro-N-[2-[1-(4-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-(3-methylpentyl)pyrimidin-4-amine
CID 134535844
N-[2-(4-benzyl-2-methylphenoxy)ethyl]-5-chloro-6-ethylpyrimidin-4-amine
CID 67895073
5-chloro-N-[2-(5-chloro-3-fluoro-2-pyridinyl)ethyl]-6-ethylpyrimidin-4-amine
CID 171782361
5-chloro-N-[2-[4-(3-chloro-5-methylphenoxy)phenyl]ethyl]-6-ethylpyrimidin-4-amine
CID 118344893
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-6-ethylpyrimidin-4-amine;hydrochloride
CID 162332013
N-[2-(2,4-dichlorophenoxy)ethyl]quinazolin-4-amine
CID 12928809
6-(2,4-dichlorophenoxy)-N,5-diethylpyrimidin-4-amine
CID 80869748
5-chloro-N-[2-[6-[2-chloro-4-(trifluoromethyl)phenoxy]-3-pyridinyl]ethyl]-6-ethylpyrimidin-4-amine
CID 90131212
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
7-(2,4-dichlorophenyl)-2-ethyl-N-hexylpyrazolo[1,5-a]pyridin-3-amine
CID 67220286

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine?
The IUPAC name of 5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine (CID 155176710) is 5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine.
What is the SMILES notation for 5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine?
The canonical SMILES for 5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine is CCc1ncnc(NCCOc2cc(-c3ccc(Cl)cc3Cl)n(C)n2)c1Cl.
What is the InChIKey of 5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine?
The InChIKey is VQNNIKHMUQZXER-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18Cl3N5O/c1-3-14-17(21)18(24-10-23-14)22-6-7-27-16-9-15(26(2)25-16)12-5-4-11(19)8-13(12)20/h4-5,8-10H,3,6-7H2,1-2H3,(H,22,23,24).
What are the key properties of 5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine?
5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine has a molecular weight of 426.74 g/mol, XLogP of 4.89, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[5-(2,4-dichlorophenyl)-1-methylpyrazol-3-yl]oxyethyl]-6-ethylpyrimidin-4-amine is sourced from PubChem (CID 155176710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).