5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine

C10H14N4O3 — CID 61147056

IUPAC5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine
SMILESCC(Nc1ncc([N+](=O)[O-])cn1)C1CCCO1
InChIInChI=1S/C10H14N4O3/c1-7(9-3-2-4-17-9)13-10-11-5-8(6-12-10)14(15)16/h5-7,9H,2-4H2,1H3,(H,11,12,13)
InChIKeyOHAPXTXUFZTONW-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.36
Rot. Bonds4

About 5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine

5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine (PubChem CID 61147056) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is 5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine
PubChem CID61147056
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine
SMILESCC(Nc1ncc([N+](=O)[O-])cn1)C1CCCO1
InChIInChI=1S/C10H14N4O3/c1-7(9-3-2-4-17-9)13-10-11-5-8(6-12-10)14(15)16/h5-7,9H,2-4H2,1H3,(H,11,12,13)
InChIKeyOHAPXTXUFZTONW-UHFFFAOYSA-N
XLogP1.36
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.36
H-Bond Donors ≤ 51
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

5-nitro-3-N-[1-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 80782028
1-N-methyl-5-nitro-3-N-[1-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 80780888
3-methyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]imidazol-4-amine
CID 43421926
5-nitro-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80781177
5-nitro-N-(oxolan-2-ylmethyl)pyrimidin-2-amine
CID 61145596
N-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine
CID 61146099
1-N-methyl-2-nitro-3-N-[1-(oxolan-2-yl)ethyl]benzene-1,3-diamine
CID 80781941
2-amino-5-nitro-N-[1-(oxolan-2-yl)ethyl]benzenesulfonamide
CID 62146601
2-N,5-dimethyl-4-N-[1-(oxolan-2-yl)ethyl]pyrimidine-2,4-diamine
CID 80780776
2-[(5-nitropyrimidin-2-yl)amino]propanamide
CID 61147205
2-fluoro-3-methyl-5-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 103297145
ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate
CID 83178981

Frequently Asked Questions

What is the IUPAC name of 5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine?
The IUPAC name of 5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine (CID 61147056) is 5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine.
What is the SMILES notation for 5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine?
The canonical SMILES for 5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine is CC(Nc1ncc([N+](=O)[O-])cn1)C1CCCO1.
What is the InChIKey of 5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine?
The InChIKey is OHAPXTXUFZTONW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-7(9-3-2-4-17-9)13-10-11-5-8(6-12-10)14(15)16/h5-7,9H,2-4H2,1H3,(H,11,12,13).
What are the key properties of 5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine?
5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine has a molecular weight of 238.25 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-N-[1-(oxolan-2-yl)ethyl]pyrimidin-2-amine is sourced from PubChem (CID 61147056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).