6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

C14H21N5O — CID 116805921

IUPAC6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCn1cc(Oc2nc(C(C)C)nc(NC)c2C)cn1
InChIInChI=1S/C14H21N5O/c1-6-19-8-11(7-16-19)20-14-10(4)13(15-5)17-12(18-14)9(2)3/h7-9H,6H2,1-5H3,(H,15,17,18)
InChIKeyQKCIUQOETGONPJ-UHFFFAOYSA-N
MW275.36 g/mol
LogP2.96
Rot. Bonds5

About 6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine

6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (PubChem CID 116805921) has the molecular formula C14H21N5O and a molecular weight of 275.36 g/mol. Its IUPAC name is 6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
PubChem CID116805921
Molecular FormulaC14H21N5O
Molecular Weight275.36 g/mol
Exact Mass275.17
IUPAC Name6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine
SMILESCCn1cc(Oc2nc(C(C)C)nc(NC)c2C)cn1
InChIInChI=1S/C14H21N5O/c1-6-19-8-11(7-16-19)20-14-10(4)13(15-5)17-12(18-14)9(2)3/h7-9H,6H2,1-5H3,(H,15,17,18)
InChIKeyQKCIUQOETGONPJ-UHFFFAOYSA-N
XLogP2.96
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.36
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine (CID 116805921) is 6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is CCn1cc(Oc2nc(C(C)C)nc(NC)c2C)cn1.
What is the InChIKey of 6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is QKCIUQOETGONPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N5O/c1-6-19-8-11(7-16-19)20-14-10(4)13(15-5)17-12(18-14)9(2)3/h7-9H,6H2,1-5H3,(H,15,17,18).
What are the key properties of 6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine?
6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 275.36 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-ethylpyrazol-4-yl)oxy-N,5-dimethyl-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 116805921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).