5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine

C14H18N6O3 — CID 23478920

IUPAC5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine
SMILESCc1cc(Nc2ncnc(N3CCC(C)CC3)c2[N+](=O)[O-])no1
InChIInChI=1S/C14H18N6O3/c1-9-3-5-19(6-4-9)14-12(20(21)22)13(15-8-16-14)17-11-7-10(2)23-18-11/h7-9H,3-6H2,1-2H3,(H,15,16,17,18)
InChIKeyZSTYBKINNTZXEK-UHFFFAOYSA-N
MW318.34 g/mol
LogP2.66
Rot. Bonds4

About 5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine

5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine (PubChem CID 23478920) has the molecular formula C14H18N6O3 and a molecular weight of 318.34 g/mol. Its IUPAC name is 5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine
PubChem CID23478920
Molecular FormulaC14H18N6O3
Molecular Weight318.34 g/mol
Exact Mass318.14
IUPAC Name5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine
SMILESCc1cc(Nc2ncnc(N3CCC(C)CC3)c2[N+](=O)[O-])no1
InChIInChI=1S/C14H18N6O3/c1-9-3-5-19(6-4-9)14-12(20(21)22)13(15-8-16-14)17-11-7-10(2)23-18-11/h7-9H,3-6H2,1-2H3,(H,15,16,17,18)
InChIKeyZSTYBKINNTZXEK-UHFFFAOYSA-N
XLogP2.66
TPSA110.22 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.34
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23479397
ethyl 4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitropyrimidin-4-yl]piperazine-1-carboxylate
CID 23479079
N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23478680
6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 23487487
1,1-dimethyl-2-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 23492262
N-ethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23487085
6-(4-methylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 23492258
1-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489699
N-ethyl-6-(4-methylazepan-1-yl)-5-nitropyrimidin-4-amine
CID 80833797
N-(2-ethoxyphenyl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492382
6-(4-methylazepan-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80816853
4-N-(5-methyl-1,2-oxazol-3-yl)-5-nitro-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 23478869

Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine?
The IUPAC name of 5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine (CID 23478920) is 5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine.
What is the SMILES notation for 5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine?
The canonical SMILES for 5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine is Cc1cc(Nc2ncnc(N3CCC(C)CC3)c2[N+](=O)[O-])no1.
What is the InChIKey of 5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine?
The InChIKey is ZSTYBKINNTZXEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O3/c1-9-3-5-19(6-4-9)14-12(20(21)22)13(15-8-16-14)17-11-7-10(2)23-18-11/h7-9H,3-6H2,1-2H3,(H,15,16,17,18).
What are the key properties of 5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine?
5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine has a molecular weight of 318.34 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine is sourced from PubChem (CID 23478920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).