4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine

C11H14N6O3 — CID 106378473

IUPAC4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine
SMILESCCc1cnc(CNc2nc(NC)ncc2[N+](=O)[O-])o1
InChIInChI=1S/C11H14N6O3/c1-3-7-4-13-9(20-7)6-14-10-8(17(18)19)5-15-11(12-2)16-10/h4-5H,3,6H2,1-2H3,(H2,12,14,15,16)
InChIKeyFWNILTKAWCRCPA-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.59
Rot. Bonds6

About 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine

4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine (PubChem CID 106378473) has the molecular formula C11H14N6O3 and a molecular weight of 278.27 g/mol. Its IUPAC name is 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine
PubChem CID106378473
Molecular FormulaC11H14N6O3
Molecular Weight278.27 g/mol
Exact Mass278.11
IUPAC Name4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine
SMILESCCc1cnc(CNc2nc(NC)ncc2[N+](=O)[O-])o1
InChIInChI=1S/C11H14N6O3/c1-3-7-4-13-9(20-7)6-14-10-8(17(18)19)5-15-11(12-2)16-10/h4-5H,3,6H2,1-2H3,(H2,12,14,15,16)
InChIKeyFWNILTKAWCRCPA-UHFFFAOYSA-N
XLogP1.59
TPSA119.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.59
H-Bond Donors ≤ 52
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 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine with MolForge

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Related Compounds

N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methyl-4-nitropyridin-2-amine
CID 106373391
4,5-dichloro-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-nitroaniline
CID 106373420
4-N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine
CID 106041456
6-chloro-2-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-N-methyl-1,3,5-triazine-2,4-diamine
CID 114181096
5-ethyl-4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-6-N-methylpyrimidine-4,6-diamine
CID 106378478
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-N-propylpyrimidine-2,4-diamine
CID 106378528
N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106013089
4-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-3-nitrobenzoic acid
CID 106372970
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-4-nitropyridin-2-amine
CID 114180511
3-methyl-3-[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]butan-1-ol
CID 114045405
3-[[[2-(methylamino)-5-nitropyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106103295
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-1-(5-nitrofuran-2-yl)methanamine
CID 103275263

Frequently Asked Questions

What is the IUPAC name of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine (CID 106378473) is 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine is CCc1cnc(CNc2nc(NC)ncc2[N+](=O)[O-])o1.
What is the InChIKey of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine?
The InChIKey is FWNILTKAWCRCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O3/c1-3-7-4-13-9(20-7)6-14-10-8(17(18)19)5-15-11(12-2)16-10/h4-5H,3,6H2,1-2H3,(H2,12,14,15,16).
What are the key properties of 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine?
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine has a molecular weight of 278.27 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine is sourced from PubChem (CID 106378473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).