6-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine

C20H25N5O — CID 46958539

IUPAC6-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine
SMILESCCn1ccc(-c2cc(NCCCOc3cccc(C)c3)nc(C)n2)n1
InChIInChI=1S/C20H25N5O/c1-4-25-11-9-18(24-25)19-14-20(23-16(3)22-19)21-10-6-12-26-17-8-5-7-15(2)13-17/h5,7-9,11,13-14H,4,6,10,12H2,1-3H3,(H,21,22,23)
InChIKeyQSKCLEONSJKMBQ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.86
Rot. Bonds8

About 6-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine

6-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine (PubChem CID 46958539) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine
PubChem CID46958539
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name6-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine
SMILESCCn1ccc(-c2cc(NCCCOc3cccc(C)c3)nc(C)n2)n1
InChIInChI=1S/C20H25N5O/c1-4-25-11-9-18(24-25)19-14-20(23-16(3)22-19)21-10-6-12-26-17-8-5-7-15(2)13-17/h5,7-9,11,13-14H,4,6,10,12H2,1-3H3,(H,21,22,23)
InChIKeyQSKCLEONSJKMBQ-UHFFFAOYSA-N
XLogP3.86
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.86
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-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine?
The IUPAC name of 6-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine (CID 46958539) is 6-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine.
What is the SMILES notation for 6-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine?
The canonical SMILES for 6-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine is CCn1ccc(-c2cc(NCCCOc3cccc(C)c3)nc(C)n2)n1.
What is the InChIKey of 6-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine?
The InChIKey is QSKCLEONSJKMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-4-25-11-9-18(24-25)19-14-20(23-16(3)22-19)21-10-6-12-26-17-8-5-7-15(2)13-17/h5,7-9,11,13-14H,4,6,10,12H2,1-3H3,(H,21,22,23).
What are the key properties of 6-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine?
6-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine has a molecular weight of 351.45 g/mol, XLogP of 3.86, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-3-yl)-2-methyl-N-[3-(3-methylphenoxy)propyl]pyrimidin-4-amine is sourced from PubChem (CID 46958539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).