[4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol

C13H23N5O2 — CID 114782771

IUPAC[4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCc1c(NN)ncnc1N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C13H23N5O2/c1-4-10-11(17-14)15-8-16-12(10)18-5-9(6-19)20-13(2,3)7-18/h8-9,19H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyNRQGQAWZCFSZTF-UHFFFAOYSA-N
MW281.36 g/mol
LogP0.30
Rot. Bonds4

About [4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol

[4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol (PubChem CID 114782771) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is [4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol.

Molecular Properties

Compound Name[4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
PubChem CID114782771
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name[4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
SMILESCCc1c(NN)ncnc1N1CC(CO)OC(C)(C)C1
InChIInChI=1S/C13H23N5O2/c1-4-10-11(17-14)15-8-16-12(10)18-5-9(6-19)20-13(2,3)7-18/h8-9,19H,4-7,14H2,1-3H3,(H,15,16,17)
InChIKeyNRQGQAWZCFSZTF-UHFFFAOYSA-N
XLogP0.30
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

[4-(6-amino-5-propan-2-ylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114782706
4-chloro-6-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrimidine-5-carbaldehyde
CID 114777268
[4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanamine
CID 114782229
3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbothioamide
CID 114776973
[4-(6-chloro-5-nitropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114777961
[4-(2-amino-5-fluoropyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114782748
[4-[2-ethyl-5-methyl-6-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114782647
3-[6-(hydroxymethyl)-2,2-dimethylmorpholin-4-yl]pyrazine-2-carbonitrile
CID 114776876
[4-(3-amino-6-chloro-2-pyridinyl)-6,6-dimethylmorpholin-2-yl]methanol
CID 114776247
[4-[5-fluoro-2-(methylamino)pyrimidin-4-yl]-6,6-dimethylmorpholin-2-yl]methanol
CID 114782658
[6,6-dimethyl-4-[5-(methylaminomethyl)pyrimidin-2-yl]morpholin-2-yl]methanol
CID 114777537
[4-[6-[(1S)-1-aminoethyl]-3-pyridinyl]-6,6-dimethylmorpholin-2-yl]methanol
CID 104969843

Frequently Asked Questions

What is the IUPAC name of [4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The IUPAC name of [4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol (CID 114782771) is [4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol.
What is the SMILES notation for [4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The canonical SMILES for [4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol is CCc1c(NN)ncnc1N1CC(CO)OC(C)(C)C1.
What is the InChIKey of [4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol?
The InChIKey is NRQGQAWZCFSZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-4-10-11(17-14)15-8-16-12(10)18-5-9(6-19)20-13(2,3)7-18/h8-9,19H,4-7,14H2,1-3H3,(H,15,16,17).
What are the key properties of [4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol?
[4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol has a molecular weight of 281.36 g/mol, XLogP of 0.30, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-ethyl-6-hydrazinylpyrimidin-4-yl)-6,6-dimethylmorpholin-2-yl]methanol is sourced from PubChem (CID 114782771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).