N,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine

C14H24N6O2 — CID 23488659

IUPACN,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
SMILESCCN1CCN(c2ncnc(N(CC)CC)c2[N+](=O)[O-])CC1
InChIInChI=1S/C14H24N6O2/c1-4-17-7-9-19(10-8-17)14-12(20(21)22)13(15-11-16-14)18(5-2)6-3/h11H,4-10H2,1-3H3
InChIKeyLFKAWKOICIEAIP-UHFFFAOYSA-N
MW308.39 g/mol
LogP1.37
Rot. Bonds6

About N,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine

N,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine (PubChem CID 23488659) has the molecular formula C14H24N6O2 and a molecular weight of 308.39 g/mol. Its IUPAC name is N,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
PubChem CID23488659
Molecular FormulaC14H24N6O2
Molecular Weight308.39 g/mol
Exact Mass308.20
IUPAC NameN,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
SMILESCCN1CCN(c2ncnc(N(CC)CC)c2[N+](=O)[O-])CC1
InChIInChI=1S/C14H24N6O2/c1-4-17-7-9-19(10-8-17)14-12(20(21)22)13(15-11-16-14)18(5-2)6-3/h11H,4-10H2,1-3H3
InChIKeyLFKAWKOICIEAIP-UHFFFAOYSA-N
XLogP1.37
TPSA78.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 51.37
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-(3,5-dimethylpyrazol-1-yl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidine
CID 23490427
2-[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]-1,1-dimethylhydrazine
CID 23490289
6-(4-ethylpiperazin-1-yl)-5-nitro-N-prop-2-enylpyrimidin-4-amine
CID 23487875
6-(4-ethylpiperazin-1-yl)-N-(4-methylphenyl)-5-nitropyrimidin-4-amine
CID 23490316
ethyl 2-[benzyl-[6-(4-benzylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]acetate
CID 5154434
6-(4-benzylpiperazin-1-yl)-N-(cyclopropylmethyl)-5-nitro-N-propylpyrimidin-4-amine
CID 3747252
N,N-diethyl-4-[[6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide
CID 23490287
N,N-dibenzyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23488279
N-(3,5-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 23483495
ethyl 1-[6-[ethyl(2-hydroxyethyl)amino]-5-nitropyrimidin-4-yl]piperidine-4-carboxylate
CID 23493102
N-(2,4-dichlorophenyl)-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 23490328
4,6-bis(4-methylpiperazin-1-yl)-5-nitropyrimidine
CID 7584049

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of N,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine (CID 23488659) is N,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine is CCN1CCN(c2ncnc(N(CC)CC)c2[N+](=O)[O-])CC1.
What is the InChIKey of N,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
The InChIKey is LFKAWKOICIEAIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N6O2/c1-4-17-7-9-19(10-8-17)14-12(20(21)22)13(15-11-16-14)18(5-2)6-3/h11H,4-10H2,1-3H3.
What are the key properties of N,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine?
N,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 1.37, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-6-(4-ethylpiperazin-1-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23488659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).