4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine

C12H17N5O2 — CID 116800587

IUPAC4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine
SMILESCCOc1ncnc(Oc2cnn(C(C)C)c2)c1N
InChIInChI=1S/C12H17N5O2/c1-4-18-11-10(13)12(15-7-14-11)19-9-5-16-17(6-9)8(2)3/h5-8H,4,13H2,1-3H3
InChIKeyKMFYDHQGQXZPOG-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.03
Rot. Bonds5

About 4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine

4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine (PubChem CID 116800587) has the molecular formula C12H17N5O2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine.

Molecular Properties

Compound Name4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine
PubChem CID116800587
Molecular FormulaC12H17N5O2
Molecular Weight263.30 g/mol
Exact Mass263.14
IUPAC Name4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine
SMILESCCOc1ncnc(Oc2cnn(C(C)C)c2)c1N
InChIInChI=1S/C12H17N5O2/c1-4-18-11-10(13)12(15-7-14-11)19-9-5-16-17(6-9)8(2)3/h5-8H,4,13H2,1-3H3
InChIKeyKMFYDHQGQXZPOG-UHFFFAOYSA-N
XLogP2.03
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-methoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-amine
CID 116806629
3-(1-propan-2-ylpyrazol-4-yl)oxypyrazin-2-amine
CID 102988441
[5-methyl-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-4-yl]hydrazine
CID 116806942
N-ethyl-6-(1-propan-2-ylpyrazol-4-yl)oxy-5-propylpyrimidin-4-amine
CID 116806444
methyl 3-amino-2-(1-propan-2-ylpyrazol-4-yl)oxypyridine-4-carboxylate
CID 116802609
4-(1-propan-2-ylpyrazol-4-yl)oxy-2,1,3-benzoxadiazol-7-amine
CID 116800519
[5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
CID 116803066
[2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-yl]methanamine
CID 116802334
6-ethoxy-5-methyl-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-4-amine
CID 66325226
4-chloro-6-(1-ethylpyrazol-4-yl)oxypyrimidin-5-amine
CID 116800284
4-[2-[di(propan-2-yl)amino]ethoxy]-6-ethoxypyrimidin-5-amine
CID 115505378
1-[2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]butan-2-amine
CID 116804290

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine?
The IUPAC name of 4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine (CID 116800587) is 4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine.
What is the SMILES notation for 4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine?
The canonical SMILES for 4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine is CCOc1ncnc(Oc2cnn(C(C)C)c2)c1N.
What is the InChIKey of 4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine?
The InChIKey is KMFYDHQGQXZPOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O2/c1-4-18-11-10(13)12(15-7-14-11)19-9-5-16-17(6-9)8(2)3/h5-8H,4,13H2,1-3H3.
What are the key properties of 4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine?
4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine has a molecular weight of 263.30 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-6-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-amine is sourced from PubChem (CID 116800587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).