4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine

C10H16N6O3 — CID 2959291

IUPAC4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
SMILESNc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N6O3/c11-9-8(16(17)18)10(14-7-13-9)12-1-2-15-3-5-19-6-4-15/h7H,1-6H2,(H3,11,12,13,14)
InChIKeyZIPRAEGTJNKELY-UHFFFAOYSA-N
MW268.28 g/mol
LogP-0.29
Rot. Bonds5

About 4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine

4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine (PubChem CID 2959291) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
PubChem CID2959291
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
SMILESNc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N6O3/c11-9-8(16(17)18)10(14-7-13-9)12-1-2-15-3-5-19-6-4-15/h7H,1-6H2,(H3,11,12,13,14)
InChIKeyZIPRAEGTJNKELY-UHFFFAOYSA-N
XLogP-0.29
TPSA119.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-0.29
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'}

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Related Compounds

6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
CID 22537557
4-N-cycloheptyl-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22538765
6-N-(3-methoxypropyl)-4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22526593
5-nitro-4-N,6-N-bis(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 11959076
4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22533352
N-(2-morpholin-4-ylethyl)-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526884
4-N,4-N-bis(2-methylpropyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 23493066
4-N-[(4-chlorophenyl)methyl]-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22534952
N-(2-morpholin-4-ylethyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 23490582
6-imidazol-1-yl-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
CID 22538786
4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 24903164
4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one
CID 135709667

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine?
The IUPAC name of 4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine (CID 2959291) is 4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine is Nc1ncnc(NCCN2CCOCC2)c1[N+](=O)[O-].
What is the InChIKey of 4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine?
The InChIKey is ZIPRAEGTJNKELY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c11-9-8(16(17)18)10(14-7-13-9)12-1-2-15-3-5-19-6-4-15/h7H,1-6H2,(H3,11,12,13,14).
What are the key properties of 4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine?
4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine has a molecular weight of 268.28 g/mol, XLogP of -0.29, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine is sourced from PubChem (CID 2959291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).