N-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine

C10H10FN5O — CID 163746878

IUPACN-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine
SMILESC=Nc1nc(Oc2ccnn2CC)ncc1F
InChIInChI=1S/C10H10FN5O/c1-3-16-8(4-5-14-16)17-10-13-6-7(11)9(12-2)15-10/h4-6H,2-3H2,1H3
InChIKeyLMQAWSDVIOIGLO-UHFFFAOYSA-N
MW235.22 g/mol
LogP1.96
Rot. Bonds4

About N-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine

N-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine (PubChem CID 163746878) has the molecular formula C10H10FN5O and a molecular weight of 235.22 g/mol. Its IUPAC name is N-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine.

Molecular Properties

Compound NameN-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine
PubChem CID163746878
Molecular FormulaC10H10FN5O
Molecular Weight235.22 g/mol
Exact Mass235.09
IUPAC NameN-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine
SMILESC=Nc1nc(Oc2ccnn2CC)ncc1F
InChIInChI=1S/C10H10FN5O/c1-3-16-8(4-5-14-16)17-10-13-6-7(11)9(12-2)15-10/h4-6H,2-3H2,1H3
InChIKeyLMQAWSDVIOIGLO-UHFFFAOYSA-N
XLogP1.96
TPSA65.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-Ethoxy-6-pyrazol-1-ylpyrimidine
CID 10702836
4-methoxy-N-[2-(4-methylpyrazol-1-yl)ethyl]pyrimidin-2-amine
CID 53623653
4-methoxy-N-methyl-N-[(4-methyl-1,2,4-triazol-3-yl)methyl]pyrimidin-2-amine
CID 129487663
5-Fluoro-4-prop-2-ynoxy-6-pyrazol-1-ylpyrimidine
CID 57538954
2-(2-Ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-amine
CID 57818674
5-Fluoro-7-methoxy-[1,2,4]triazolo[1,5-a]pyrimidine
CID 91253194
2-(2-Ethylpyrazol-3-yl)oxy-5-fluoro-4-methylpyrimidine
CID 118311848
5-(3-Methoxypyrazol-1-yl)-2-(trifluoromethyl)pyrimidine
CID 122532992
2-(3-Methoxypyrazol-1-yl)-5-(trifluoromethyl)pyrazine
CID 141441814
4-Fluoro-6-methoxy-2-pyrazol-1-yl-5-(trifluoromethyl)pyrimidine
CID 156415005
4-Fluoro-6-methoxy-2-(3-methoxy-1-methylpyrazol-4-yl)-5-(trifluoromethyl)pyrimidine
CID 156865191
N-(2-cyclopropylpyrazol-3-yl)-4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
CID 167067348

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine?
The IUPAC name of N-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine (CID 163746878) is N-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine.
What is the SMILES notation for N-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine?
The canonical SMILES for N-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine is C=Nc1nc(Oc2ccnn2CC)ncc1F.
What is the InChIKey of N-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine?
The InChIKey is LMQAWSDVIOIGLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN5O/c1-3-16-8(4-5-14-16)17-10-13-6-7(11)9(12-2)15-10/h4-6H,2-3H2,1H3.
What are the key properties of N-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine?
N-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine has a molecular weight of 235.22 g/mol, XLogP of 1.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-ethylpyrazol-3-yl)oxy-5-fluoropyrimidin-4-yl]methanimine is sourced from PubChem (CID 163746878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).