1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

C15H22N4O2 — CID 102950291

IUPAC1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)c2cc(OC)ncn2)n1
InChIInChI=1S/C15H22N4O2/c1-4-12(5-2)19-7-6-11(18-19)8-14(20)13-9-15(21-3)17-10-16-13/h6-7,9-10,12,14,20H,4-5,8H2,1-3H3
InChIKeyUNGAKVRUVGPJAE-UHFFFAOYSA-N
MW290.37 g/mol
LogP2.32
Rot. Bonds7

About 1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol

1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (PubChem CID 102950291) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
PubChem CID102950291
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
SMILESCCC(CC)n1ccc(CC(O)c2cc(OC)ncn2)n1
InChIInChI=1S/C15H22N4O2/c1-4-12(5-2)19-7-6-11(18-19)8-14(20)13-9-15(21-3)17-10-16-13/h6-7,9-10,12,14,20H,4-5,8H2,1-3H3
InChIKeyUNGAKVRUVGPJAE-UHFFFAOYSA-N
XLogP2.32
TPSA73.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(6-methoxypyrimidin-4-yl)-N-methyl-2-(1-propan-2-ylpyrazol-3-yl)ethanamine
CID 102951244
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-ol
CID 64785051
1-(5-ethylfuran-2-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 64783113
1-(3-ethyl-1-methylpyrazol-5-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 105104073
1-(1-pentan-3-ylpyrazol-3-yl)propan-2-amine
CID 64785884
1-(6-methoxypyrimidin-4-yl)-2-[2-(2-methylpropyl)-1,2,4-triazol-3-yl]ethanol
CID 102950360
1-(2,4-dibromophenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 107947554
N-[1-(6-methoxypyrimidin-4-yl)-2-(1-methylpyrazol-3-yl)ethyl]propan-1-amine
CID 102952007
1-(6-methoxypyrimidin-4-yl)but-3-en-1-ol
CID 102950319
3-[(1-pentan-3-ylpyrazol-3-yl)methyl]pentan-2-ol
CID 64777467
2-(2-amino-4-pyridinyl)-1-(6-methoxypyrimidin-4-yl)ethanol
CID 102950454
1-(3-methylimidazol-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 66116921

Frequently Asked Questions

What is the IUPAC name of 1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol (CID 102950291) is 1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is CCC(CC)n1ccc(CC(O)c2cc(OC)ncn2)n1.
What is the InChIKey of 1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
The InChIKey is UNGAKVRUVGPJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-4-12(5-2)19-7-6-11(18-19)8-14(20)13-9-15(21-3)17-10-16-13/h6-7,9-10,12,14,20H,4-5,8H2,1-3H3.
What are the key properties of 1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol?
1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol has a molecular weight of 290.37 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-methoxypyrimidin-4-yl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol is sourced from PubChem (CID 102950291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).