4-(3-methoxyphenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine

C19H24N4O4 — CID 141107639

IUPAC4-(3-methoxyphenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine
SMILESCCCC1CCN(c2ncnc(Oc3cccc(OC)c3)c2[N+](=O)[O-])CC1
InChIInChI=1S/C19H24N4O4/c1-3-5-14-8-10-22(11-9-14)18-17(23(24)25)19(21-13-20-18)27-16-7-4-6-15(12-16)26-2/h4,6-7,12-14H,3,5,8-11H2,1-2H3
InChIKeyFLFHFQLPGBJJLX-UHFFFAOYSA-N
MW372.43 g/mol
LogP4.20
Rot. Bonds7

About 4-(3-methoxyphenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine

4-(3-methoxyphenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine (PubChem CID 141107639) has the molecular formula C19H24N4O4 and a molecular weight of 372.43 g/mol. Its IUPAC name is 4-(3-methoxyphenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine.

Molecular Properties

Compound Name4-(3-methoxyphenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine
PubChem CID141107639
Molecular FormulaC19H24N4O4
Molecular Weight372.43 g/mol
Exact Mass372.18
IUPAC Name4-(3-methoxyphenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine
SMILESCCCC1CCN(c2ncnc(Oc3cccc(OC)c3)c2[N+](=O)[O-])CC1
InChIInChI=1S/C19H24N4O4/c1-3-5-14-8-10-22(11-9-14)18-17(23(24)25)19(21-13-20-18)27-16-7-4-6-15(12-16)26-2/h4,6-7,12-14H,3,5,8-11H2,1-2H3
InChIKeyFLFHFQLPGBJJLX-UHFFFAOYSA-N
XLogP4.20
TPSA90.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(4-methoxyphenoxy)-5-nitro-6-pyrrolidin-1-ylpyrimidine
CID 23489310
4-[3-ethoxy-2-[5-nitro-6-(4-propylpiperidin-1-yl)pyrimidin-4-yl]oxyphenyl]benzaldehyde
CID 87812926
1-(5-nitro-6-phenoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 22537397
4-(2,4-difluorophenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine;ethyl 1-[6-[[3-(difluoromethoxy)phenyl]methoxy]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 87802074
2-[6-(4-methoxyphenoxy)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 22531643
4-(4-methylpiperazin-1-yl)-6-naphthalen-2-yloxy-5-nitropyrimidine
CID 23482158
ethyl 1-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 23494222
2-[4-[(3-methoxyphenyl)methyl]piperidin-1-yl]-3-nitropyridine-4-carbonitrile
CID 133464979
1-[1-(6-methoxy-5-nitropyrimidin-4-yl)piperidin-4-yl]ethanol
CID 106837258
ethyl 1-[6-(4-methoxycarbonylphenoxy)-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 23483297
4-(4-chloro-3-methylphenoxy)-5-nitro-6-pyrrolidin-1-ylpyrimidine
CID 23489271
1-[5-nitro-6-(4-phenylmethoxyphenoxy)pyrimidin-4-yl]piperidine-4-carboxylic acid
CID 141107622

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxyphenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine?
The IUPAC name of 4-(3-methoxyphenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine (CID 141107639) is 4-(3-methoxyphenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine.
What is the SMILES notation for 4-(3-methoxyphenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine?
The canonical SMILES for 4-(3-methoxyphenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine is CCCC1CCN(c2ncnc(Oc3cccc(OC)c3)c2[N+](=O)[O-])CC1.
What is the InChIKey of 4-(3-methoxyphenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine?
The InChIKey is FLFHFQLPGBJJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O4/c1-3-5-14-8-10-22(11-9-14)18-17(23(24)25)19(21-13-20-18)27-16-7-4-6-15(12-16)26-2/h4,6-7,12-14H,3,5,8-11H2,1-2H3.
What are the key properties of 4-(3-methoxyphenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine?
4-(3-methoxyphenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine has a molecular weight of 372.43 g/mol, XLogP of 4.20, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxyphenoxy)-5-nitro-6-(4-propylpiperidin-1-yl)pyrimidine is sourced from PubChem (CID 141107639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).