4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one

C10H15N5O4 — CID 135709667

IUPAC4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCN2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O4/c16-10-8(15(17)18)9(12-7-13-10)11-1-2-14-3-5-19-6-4-14/h7H,1-6H2,(H2,11,12,13,16)
InChIKeyJTRDRKOQWNCDSY-UHFFFAOYSA-N
MW269.26 g/mol
LogP-0.58
Rot. Bonds5

About 4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one

4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one (PubChem CID 135709667) has the molecular formula C10H15N5O4 and a molecular weight of 269.26 g/mol. Its IUPAC name is 4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one
PubChem CID135709667
Molecular FormulaC10H15N5O4
Molecular Weight269.26 g/mol
Exact Mass269.11
IUPAC Name4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(NCCN2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H15N5O4/c16-10-8(15(17)18)9(12-7-13-10)11-1-2-14-3-5-19-6-4-14/h7H,1-6H2,(H2,11,12,13,16)
InChIKeyJTRDRKOQWNCDSY-UHFFFAOYSA-N
XLogP-0.58
TPSA113.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
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-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 2959291
4-methyl-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 24903164
4-chloro-N-(2-morpholin-4-ylethyl)-3-nitropyridin-2-amine
CID 24903165
6-(2-tert-butylhydrazinyl)-N-(2-morpholin-4-ylethyl)-5-nitropyrimidin-4-amine
CID 22537557
4-N-(4-fluorophenyl)-6-N-(2-morpholin-4-ylethyl)-5-nitropyrimidine-4,6-diamine
CID 22533352
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
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
6-N-(3-morpholin-4-ylpropyl)-5-nitro-4-N-prop-2-enylpyrimidine-4,6-diamine
CID 23487909
N-(2-morpholin-4-ylethyl)-5-nitro-6-(4-phenylpiperazin-1-yl)pyrimidin-4-amine
CID 23490582

Frequently Asked Questions

What is the IUPAC name of 4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one (CID 135709667) is 4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one is O=c1[nH]cnc(NCCN2CCOCC2)c1[N+](=O)[O-].
What is the InChIKey of 4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one?
The InChIKey is JTRDRKOQWNCDSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O4/c16-10-8(15(17)18)9(12-7-13-10)11-1-2-14-3-5-19-6-4-14/h7H,1-6H2,(H2,11,12,13,16).
What are the key properties of 4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one?
4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one has a molecular weight of 269.26 g/mol, XLogP of -0.58, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-morpholin-4-ylethylamino)-5-nitro-1H-pyrimidin-6-one is sourced from PubChem (CID 135709667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).