2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol

C10H16N4O3 — CID 113434416

IUPAC2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol
SMILESCCCC(C)(O)CNc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C10H16N4O3/c1-3-4-10(2,15)7-13-9-11-5-8(6-12-9)14(16)17/h5-6,15H,3-4,7H2,1-2H3,(H,11,12,13)
InChIKeyZIPUYLCXBFKJGF-UHFFFAOYSA-N
MW240.26 g/mol
LogP1.35
Rot. Bonds6

About 2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol

2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol (PubChem CID 113434416) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol
PubChem CID113434416
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol
SMILESCCCC(C)(O)CNc1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C10H16N4O3/c1-3-4-10(2,15)7-13-9-11-5-8(6-12-9)14(16)17/h5-6,15H,3-4,7H2,1-2H3,(H,11,12,13)
InChIKeyZIPUYLCXBFKJGF-UHFFFAOYSA-N
XLogP1.35
TPSA101.18 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

2-ethyl-2-[[(5-nitropyrimidin-2-yl)amino]methyl]butan-1-ol
CID 104626204
5-nitro-N-(2,2,2-trifluoroethyl)pyrimidin-2-amine
CID 61147355
N-(2-methyl-2-methylsulfanylpropyl)-5-nitropyrimidin-2-amine
CID 104626121
1-(2,6-dichloro-4-nitroanilino)-2-methylpentan-2-ol
CID 106290754
4-[(5-nitropyrimidin-2-yl)amino]-2-phenylbutan-2-ol
CID 133495840
N-(2-butoxyethyl)-5-nitropyrimidin-2-amine
CID 61169725
5-nitro-N-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 63227033
1-[[2-hydroxy-2-(4-nitrophenyl)ethyl]amino]-2-methylpentan-2-ol
CID 106292535
1-(3-methoxy-5-nitroanilino)-2-methylpentan-2-ol
CID 106290807
2-methyl-1-[(6-nitro-1H-benzimidazol-2-yl)amino]pentan-2-ol
CID 107094506
2-methyl-1-(2-nitroanilino)pentan-2-ol
CID 113234749
N-but-2-ynyl-5-nitropyrimidin-2-amine
CID 104626226

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol?
The IUPAC name of 2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol (CID 113434416) is 2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol.
What is the SMILES notation for 2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol?
The canonical SMILES for 2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol is CCCC(C)(O)CNc1ncc([N+](=O)[O-])cn1.
What is the InChIKey of 2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol?
The InChIKey is ZIPUYLCXBFKJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-4-10(2,15)7-13-9-11-5-8(6-12-9)14(16)17/h5-6,15H,3-4,7H2,1-2H3,(H,11,12,13).
What are the key properties of 2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol?
2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol has a molecular weight of 240.26 g/mol, XLogP of 1.35, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[(5-nitropyrimidin-2-yl)amino]pentan-2-ol is sourced from PubChem (CID 113434416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).