[5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol

C10H14N4O4 — CID 81218886

IUPAC[5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C10H14N4O4/c1-7-6-18-9(5-15)4-13(7)10-11-2-8(3-12-10)14(16)17/h2-3,7,9,15H,4-6H2,1H3
InChIKeyFROZAAWGEMNPHI-UHFFFAOYSA-N
MW254.25 g/mol
LogP-0.03
Rot. Bonds3

About [5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol

[5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol (PubChem CID 81218886) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is [5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol.

Molecular Properties

Compound Name[5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol
PubChem CID81218886
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name[5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol
SMILESCC1COC(CO)CN1c1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C10H14N4O4/c1-7-6-18-9(5-15)4-13(7)10-11-2-8(3-12-10)14(16)17/h2-3,7,9,15H,4-6H2,1H3
InChIKeyFROZAAWGEMNPHI-UHFFFAOYSA-N
XLogP-0.03
TPSA101.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
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'}

Analyze [5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol?
The IUPAC name of [5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol (CID 81218886) is [5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol.
What is the SMILES notation for [5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol?
The canonical SMILES for [5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol is CC1COC(CO)CN1c1ncc([N+](=O)[O-])cn1.
What is the InChIKey of [5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol?
The InChIKey is FROZAAWGEMNPHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-7-6-18-9(5-15)4-13(7)10-11-2-8(3-12-10)14(16)17/h2-3,7,9,15H,4-6H2,1H3.
What are the key properties of [5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol?
[5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol has a molecular weight of 254.25 g/mol, XLogP of -0.03, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-methyl-4-(5-nitropyrimidin-2-yl)morpholin-2-yl]methanol is sourced from PubChem (CID 81218886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).