5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane

C17H19Cl2N5O — CID 160569200

IUPAC5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane
SMILESC.Cc1ncnc(NCCOc2ccnn2-c2ccccc2Cl)c1Cl
InChIInChI=1S/C16H15Cl2N5O.CH4/c1-11-15(18)16(21-10-20-11)19-8-9-24-14-6-7-22-23(14)13-5-3-2-4-12(13)17;/h2-7,10H,8-9H2,1H3,(H,19,20,21);1H4
InChIKeyNGJVRUKIYITKNR-UHFFFAOYSA-N
MW380.28 g/mol
LogP4.40
Rot. Bonds6

About 5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane

5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane (PubChem CID 160569200) has the molecular formula C17H19Cl2N5O and a molecular weight of 380.28 g/mol. Its IUPAC name is 5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane.

Molecular Properties

Compound Name5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane
PubChem CID160569200
Molecular FormulaC17H19Cl2N5O
Molecular Weight380.28 g/mol
Exact Mass379.10
IUPAC Name5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane
SMILESC.Cc1ncnc(NCCOc2ccnn2-c2ccccc2Cl)c1Cl
InChIInChI=1S/C16H15Cl2N5O.CH4/c1-11-15(18)16(21-10-20-11)19-8-9-24-14-6-7-22-23(14)13-5-3-2-4-12(13)17;/h2-7,10H,8-9H2,1H3,(H,19,20,21);1H4
InChIKeyNGJVRUKIYITKNR-UHFFFAOYSA-N
XLogP4.40
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.28
LogP ≤ 54.40
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

5,6-dichloro-N-[2-[2-(4-methoxyphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine
CID 155086804
5-chloro-6-methyl-N-[1-(2-phenylpyrazol-3-yl)oxypropan-2-yl]pyrimidin-4-amine
CID 134373197
5-chloro-6-methyl-N-[2-(2,3,6-trimethylphenoxy)ethyl]pyrimidin-4-amine
CID 15588038
5-chloro-6-methyl-N-[2-(2,4,6-trimethylphenoxy)ethyl]pyrimidin-4-amine
CID 15588039
5-chloro-6-methyl-N-[2-(2-methyl-4-prop-2-enylphenoxy)ethyl]pyrimidin-4-amine
CID 15588050
5-chloro-N-[2-(2-hexyl-6-methylphenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 13075403
N-[2-(1,3-benzodioxol-5-yl)ethyl]-5-chloro-6-methylpyrimidin-4-amine;hydrochloride
CID 74220633
5-chloro-6-methyl-N-[2-[4-(4-methylphenoxy)phenyl]ethyl]pyrimidin-4-amine
CID 144611754
5-chloro-N-[2-(2-ethyl-4-propan-2-ylphenoxy)ethyl]-6-methylpyrimidin-4-amine
CID 15588061
N-[2-(4-butan-2-yl-2-ethylphenoxy)ethyl]-5-chloro-6-methylpyrimidin-4-amine
CID 15588065
5-chloro-6-methyl-N-[2-(2-methyl-4-pentan-2-ylphenoxy)ethyl]pyrimidin-4-amine
CID 15588049
N'-[1-(2-chlorophenyl)-3,5-dimethylpyrazol-4-yl]ethane-1,2-diamine
CID 117124675

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane?
The IUPAC name of 5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane (CID 160569200) is 5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane.
What is the SMILES notation for 5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane?
The canonical SMILES for 5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane is C.Cc1ncnc(NCCOc2ccnn2-c2ccccc2Cl)c1Cl.
What is the InChIKey of 5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane?
The InChIKey is NGJVRUKIYITKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O.CH4/c1-11-15(18)16(21-10-20-11)19-8-9-24-14-6-7-22-23(14)13-5-3-2-4-12(13)17;/h2-7,10H,8-9H2,1H3,(H,19,20,21);1H4.
What are the key properties of 5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane?
5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane has a molecular weight of 380.28 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-[2-(2-chlorophenyl)pyrazol-3-yl]oxyethyl]-6-methylpyrimidin-4-amine;methane is sourced from PubChem (CID 160569200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).