4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine

C14H12ClN3O3 — CID 133309272

IUPAC4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine
SMILESCc1cc(Cl)c([N+](=O)[O-])cc1Oc1ccnc(C2CC2)n1
InChIInChI=1S/C14H12ClN3O3/c1-8-6-10(15)11(18(19)20)7-12(8)21-13-4-5-16-14(17-13)9-2-3-9/h4-7,9H,2-3H2,1H3
InChIKeyAWJJZGVKIRLXBF-UHFFFAOYSA-N
MW305.72 g/mol
LogP4.02
Rot. Bonds4

About 4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine

4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine (PubChem CID 133309272) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine.

Molecular Properties

Compound Name4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine
PubChem CID133309272
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine
SMILESCc1cc(Cl)c([N+](=O)[O-])cc1Oc1ccnc(C2CC2)n1
InChIInChI=1S/C14H12ClN3O3/c1-8-6-10(15)11(18(19)20)7-12(8)21-13-4-5-16-14(17-13)9-2-3-9/h4-7,9H,2-3H2,1H3
InChIKeyAWJJZGVKIRLXBF-UHFFFAOYSA-N
XLogP4.02
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(5-chloro-2-methyl-4-nitrophenoxy)azetidine
CID 115556274
4-(2-fluoro-5-methyl-4-nitrophenoxy)pyrimidin-2-amine
CID 114418383
2-[(5-chloro-2-methyl-4-nitrophenoxy)methyl]pyrrolidine
CID 113334615
2-cyclopropyl-6-(2-nitrophenoxy)pyrimidin-4-amine
CID 80965952
2-(2,5-dimethyl-4-nitrophenoxy)pyridine-4-carboxylic acid
CID 60726441
2-bromo-5-(5-chloro-2-methyl-4-nitrophenoxy)-1,3-dimethylbenzene
CID 107724224
4-(3-chloro-4-nitrophenoxy)-N-ethylpyrimidin-2-amine
CID 80873261
3-[(5-chloro-2-methyl-4-nitrophenoxy)methyl]piperidine
CID 115556271
4-(4-chloro-2-methyl-5-nitrophenoxy)-1-phenylpyrazolo[5,4-d]pyrimidine
CID 133309285
4-chloro-2-cyclopropyl-6-(2-iodo-5-nitrophenoxy)pyrimidine
CID 133498824
(3S)-3-(5-chloro-2-methyl-4-nitrophenoxy)piperidine
CID 115556289
[4-(4-methyl-2-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920014

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine?
The IUPAC name of 4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine (CID 133309272) is 4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine.
What is the SMILES notation for 4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine?
The canonical SMILES for 4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine is Cc1cc(Cl)c([N+](=O)[O-])cc1Oc1ccnc(C2CC2)n1.
What is the InChIKey of 4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine?
The InChIKey is AWJJZGVKIRLXBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c1-8-6-10(15)11(18(19)20)7-12(8)21-13-4-5-16-14(17-13)9-2-3-9/h4-7,9H,2-3H2,1H3.
What are the key properties of 4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine?
4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine has a molecular weight of 305.72 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-2-methyl-5-nitrophenoxy)-2-cyclopropylpyrimidine is sourced from PubChem (CID 133309272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).