2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine

C14H13N3O3 — CID 122135394

IUPAC2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine
SMILESCc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(C2CC2)n1
InChIInChI=1S/C14H13N3O3/c1-9-8-13(16-14(15-9)10-2-3-10)20-12-6-4-11(5-7-12)17(18)19/h4-8,10H,2-3H2,1H3
InChIKeyFYRWWBNZHUBIBZ-UHFFFAOYSA-N
MW271.28 g/mol
LogP3.36
Rot. Bonds4

About 2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine

2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine (PubChem CID 122135394) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine.

Molecular Properties

Compound Name2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine
PubChem CID122135394
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Name2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine
SMILESCc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(C2CC2)n1
InChIInChI=1S/C14H13N3O3/c1-9-8-13(16-14(15-9)10-2-3-10)20-12-6-4-11(5-7-12)17(18)19/h4-8,10H,2-3H2,1H3
InChIKeyFYRWWBNZHUBIBZ-UHFFFAOYSA-N
XLogP3.36
TPSA78.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 53.36
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

[4-methyl-6-(4-nitrophenoxy)pyrimidin-2-yl]hydrazine
CID 80920854
2-cyclohexyl-4-(4-nitrophenoxy)-6-(3-phenylpropyl)pyrimidine
CID 69183915
4-chloro-2-cyclopropyl-6-(4-methoxyphenoxy)pyrimidine
CID 80948365
4-chloro-2-cyclopropyl-6-(2-iodo-5-nitrophenoxy)pyrimidine
CID 133498824
4-chloro-2-cyclopropyl-6-(4-methylsulfonylphenoxy)pyrimidine
CID 80944930
2-[(2-fluorophenyl)methylsulfanyl]-4-methyl-6-(4-nitrophenoxy)pyrimidine
CID 46033925
2-amino-2-methyl-1-[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]propan-1-one
CID 95823280
[4-(4-methyl-6-phenoxypyrimidin-2-yl)piperidin-1-yl]-(5-methylpyrazin-2-yl)methanone
CID 95822714
4-chloro-2-cyclopropyl-5-methyl-6-(4-nitrophenyl)sulfanylpyrimidine
CID 80970415
6-(4-nitrophenoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80966351
cyclopropyl-[(3S)-3-[4-(4-methoxyphenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]methanone
CID 95822246
1-[3-[4-(4-fluorophenoxy)-6-methylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 110256208

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine?
The IUPAC name of 2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine (CID 122135394) is 2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine.
What is the SMILES notation for 2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine?
The canonical SMILES for 2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine is Cc1cc(Oc2ccc([N+](=O)[O-])cc2)nc(C2CC2)n1.
What is the InChIKey of 2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine?
The InChIKey is FYRWWBNZHUBIBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-9-8-13(16-14(15-9)10-2-3-10)20-12-6-4-11(5-7-12)17(18)19/h4-8,10H,2-3H2,1H3.
What are the key properties of 2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine?
2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine has a molecular weight of 271.28 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-4-methyl-6-(4-nitrophenoxy)pyrimidine is sourced from PubChem (CID 122135394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).