N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine

C11H17N5O3 — CID 24823899

IUPACN-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine
SMILESO=[N+]([O-])c1cnc(NCCCN2CCOCC2)nc1
InChIInChI=1S/C11H17N5O3/c17-16(18)10-8-13-11(14-9-10)12-2-1-3-15-4-6-19-7-5-15/h8-9H,1-7H2,(H,12,13,14)
InChIKeyUXEXMMMKBUDPOA-UHFFFAOYSA-N
MW267.29 g/mol
LogP0.52
Rot. Bonds6

About N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine

N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine (PubChem CID 24823899) has the molecular formula C11H17N5O3 and a molecular weight of 267.29 g/mol. Its IUPAC name is N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine
PubChem CID24823899
Molecular FormulaC11H17N5O3
Molecular Weight267.29 g/mol
Exact Mass267.13
IUPAC NameN-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine
SMILESO=[N+]([O-])c1cnc(NCCCN2CCOCC2)nc1
InChIInChI=1S/C11H17N5O3/c17-16(18)10-8-13-11(14-9-10)12-2-1-3-15-4-6-19-7-5-15/h8-9H,1-7H2,(H,12,13,14)
InChIKeyUXEXMMMKBUDPOA-UHFFFAOYSA-N
XLogP0.52
TPSA93.42 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine?
The IUPAC name of N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine (CID 24823899) is N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine.
What is the SMILES notation for N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine?
The canonical SMILES for N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine is O=[N+]([O-])c1cnc(NCCCN2CCOCC2)nc1.
What is the InChIKey of N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine?
The InChIKey is UXEXMMMKBUDPOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O3/c17-16(18)10-8-13-11(14-9-10)12-2-1-3-15-4-6-19-7-5-15/h8-9H,1-7H2,(H,12,13,14).
What are the key properties of N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine?
N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine has a molecular weight of 267.29 g/mol, XLogP of 0.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-2-amine is sourced from PubChem (CID 24823899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).