6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine

C19H23N5O — CID 155086832

IUPAC6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCOc2ccn(-c3ccc(C)cc3)n2)c1C
InChIInChI=1S/C19H23N5O/c1-4-17-15(3)19(22-13-21-17)20-10-12-25-18-9-11-24(23-18)16-7-5-14(2)6-8-16/h5-9,11,13H,4,10,12H2,1-3H3,(H,20,21,22)
InChIKeyPWKQMMCRXLMERM-UHFFFAOYSA-N
MW337.43 g/mol
LogP3.33
Rot. Bonds7

About 6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine

6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine (PubChem CID 155086832) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine
PubChem CID155086832
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine
SMILESCCc1ncnc(NCCOc2ccn(-c3ccc(C)cc3)n2)c1C
InChIInChI=1S/C19H23N5O/c1-4-17-15(3)19(22-13-21-17)20-10-12-25-18-9-11-24(23-18)16-7-5-14(2)6-8-16/h5-9,11,13H,4,10,12H2,1-3H3,(H,20,21,22)
InChIKeyPWKQMMCRXLMERM-UHFFFAOYSA-N
XLogP3.33
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 53.33
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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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine (CID 155086832) is 6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine is CCc1ncnc(NCCOc2ccn(-c3ccc(C)cc3)n2)c1C.
What is the InChIKey of 6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine?
The InChIKey is PWKQMMCRXLMERM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-4-17-15(3)19(22-13-21-17)20-10-12-25-18-9-11-24(23-18)16-7-5-14(2)6-8-16/h5-9,11,13H,4,10,12H2,1-3H3,(H,20,21,22).
What are the key properties of 6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine?
6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine has a molecular weight of 337.43 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-N-[2-[1-(4-methylphenyl)pyrazol-3-yl]oxyethyl]pyrimidin-4-amine is sourced from PubChem (CID 155086832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).