5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine

C11H13ClN4O — CID 116802687

IUPAC5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine
SMILESCCn1cc(Oc2ncc(CCl)c(C)n2)cn1
InChIInChI=1S/C11H13ClN4O/c1-3-16-7-10(6-14-16)17-11-13-5-9(4-12)8(2)15-11/h5-7H,3-4H2,1-2H3
InChIKeyPWAMCGYEDKHHSW-UHFFFAOYSA-N
MW252.71 g/mol
LogP2.53
Rot. Bonds4

About 5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine

5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine (PubChem CID 116802687) has the molecular formula C11H13ClN4O and a molecular weight of 252.71 g/mol. Its IUPAC name is 5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine.

Molecular Properties

Compound Name5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine
PubChem CID116802687
Molecular FormulaC11H13ClN4O
Molecular Weight252.71 g/mol
Exact Mass252.08
IUPAC Name5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine
SMILESCCn1cc(Oc2ncc(CCl)c(C)n2)cn1
InChIInChI=1S/C11H13ClN4O/c1-3-16-7-10(6-14-16)17-11-13-5-9(4-12)8(2)15-11/h5-7H,3-4H2,1-2H3
InChIKeyPWAMCGYEDKHHSW-UHFFFAOYSA-N
XLogP2.53
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.71
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-(chloromethyl)-4-(1-ethylpyrazol-4-yl)oxy-2-methylpyridine
CID 116802686
N-[[4-methyl-2-(1-propylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]ethanamine
CID 116803018
5-bromo-2-(1-ethylpyrazol-4-yl)oxy-4-methoxypyrimidine
CID 106999377
4-[2-(chloromethyl)phenoxy]-1-ethylpyrazole
CID 116802044
2-(3-chloro-4-fluorophenoxy)-5-(chloromethyl)-4-methylpyrimidine
CID 83184428
[6-(1-ethylpyrazol-4-yl)oxy-2-methyl-3-pyridinyl]methanamine
CID 116802826
N-[[2-(1-ethylpyrazol-4-yl)oxypyrimidin-5-yl]methyl]-2-methylpropan-2-amine
CID 116802125
4-chloro-5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-1,3-thiazole
CID 116802045
5-(chloromethyl)-4-methyl-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]pyrimidine
CID 112588533
4-[2-(chloromethyl)-4-methylphenoxy]-1-propylpyrazole
CID 114054833
5-(chloromethyl)-2-(2,5-dichlorophenoxy)-4-methylpyrimidine
CID 83184065
2-chloro-6-(1-ethylpyrazol-4-yl)oxypyrazine
CID 116801023

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine?
The IUPAC name of 5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine (CID 116802687) is 5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine.
What is the SMILES notation for 5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine?
The canonical SMILES for 5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine is CCn1cc(Oc2ncc(CCl)c(C)n2)cn1.
What is the InChIKey of 5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine?
The InChIKey is PWAMCGYEDKHHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O/c1-3-16-7-10(6-14-16)17-11-13-5-9(4-12)8(2)15-11/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine?
5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine has a molecular weight of 252.71 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-2-(1-ethylpyrazol-4-yl)oxy-4-methylpyrimidine is sourced from PubChem (CID 116802687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).