6-ethoxy-N,N-diethyl-5-nitropyrimidin-4-amine

C10H16N4O3 — CID 23488783

IUPAC6-ethoxy-N,N-diethyl-5-nitropyrimidin-4-amine
SMILESCCOc1ncnc(N(CC)CC)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O3/c1-4-13(5-2)9-8(14(15)16)10(17-6-3)12-7-11-9/h7H,4-6H2,1-3H3
InChIKeyNHGRGGQCHGGZSL-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.63
Rot. Bonds6

About 6-ethoxy-N,N-diethyl-5-nitropyrimidin-4-amine

6-ethoxy-N,N-diethyl-5-nitropyrimidin-4-amine (PubChem CID 23488783) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-ethoxy-N,N-diethyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-ethoxy-N,N-diethyl-5-nitropyrimidin-4-amine
PubChem CID23488783
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name6-ethoxy-N,N-diethyl-5-nitropyrimidin-4-amine
SMILESCCOc1ncnc(N(CC)CC)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O3/c1-4-13(5-2)9-8(14(15)16)10(17-6-3)12-7-11-9/h7H,4-6H2,1-3H3
InChIKeyNHGRGGQCHGGZSL-UHFFFAOYSA-N
XLogP1.63
TPSA81.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

N-benzyl-6-ethoxy-N-methyl-5-nitropyrimidin-4-amine
CID 23478068
6-ethoxy-N-ethyl-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 23484492
6-ethoxy-N-methyl-5-nitropyrimidin-4-amine
CID 23486998
2-[[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-ethylamino]ethanol
CID 23493217
N,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 23488659
N-butyl-6-chloro-N-ethyl-5-nitropyrimidin-4-amine
CID 62101508
4-N,4-N-diethyl-6-N-[(4-methylphenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23488750
4-N,6-N-diethyl-5-nitro-4-N-propylpyrimidine-4,6-diamine
CID 80773861
N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine
CID 80943828
2-[[6-[bis(2-methylpropyl)amino]-5-nitropyrimidin-4-yl]-ethylamino]ethanol
CID 23492925
6-N-[(4-chlorophenyl)methyl]-4-N,4-N-diethyl-5-nitropyrimidine-4,6-diamine
CID 23488753
4-N,4-N-diethyl-6-N-[(4-fluorophenyl)methyl]-5-nitropyrimidine-4,6-diamine
CID 23488811

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-N,N-diethyl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-ethoxy-N,N-diethyl-5-nitropyrimidin-4-amine (CID 23488783) is 6-ethoxy-N,N-diethyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-ethoxy-N,N-diethyl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-ethoxy-N,N-diethyl-5-nitropyrimidin-4-amine is CCOc1ncnc(N(CC)CC)c1[N+](=O)[O-].
What is the InChIKey of 6-ethoxy-N,N-diethyl-5-nitropyrimidin-4-amine?
The InChIKey is NHGRGGQCHGGZSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-4-13(5-2)9-8(14(15)16)10(17-6-3)12-7-11-9/h7H,4-6H2,1-3H3.
What are the key properties of 6-ethoxy-N,N-diethyl-5-nitropyrimidin-4-amine?
6-ethoxy-N,N-diethyl-5-nitropyrimidin-4-amine has a molecular weight of 240.26 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-N,N-diethyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23488783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).