N-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine

C10H16N4O2 — CID 63199611

IUPACN-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine
SMILESCCNC(C)C(C)c1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C10H16N4O2/c1-4-11-8(3)7(2)10-12-5-9(6-13-10)14(15)16/h5-8,11H,4H2,1-3H3
InChIKeyRHRAMBCPVWCOFL-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.49
Rot. Bonds5

About N-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine

N-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine (PubChem CID 63199611) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine.

Molecular Properties

Compound NameN-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine
PubChem CID63199611
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine
SMILESCCNC(C)C(C)c1ncc([N+](=O)[O-])cn1
InChIInChI=1S/C10H16N4O2/c1-4-11-8(3)7(2)10-12-5-9(6-13-10)14(15)16/h5-8,11H,4H2,1-3H3
InChIKeyRHRAMBCPVWCOFL-UHFFFAOYSA-N
XLogP1.49
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(5-nitropyrimidin-2-yl)-N-propylpentan-3-amine
CID 55222302
N-ethyl-3-pyrimidin-2-ylbutan-2-amine
CID 63199557
N-(3-methylbutan-2-yl)-5-nitropyrimidin-2-amine
CID 61146099
1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine
CID 63202169
3-(4-nitrophenyl)-N-propylbutan-2-amine
CID 63200093
diethyl 2-(5-nitropyrimidin-2-yl)propanedioate
CID 104573499
(2-amino-5-nitro-3-pyridinyl)-(ethylamino)methanol
CID 144975049
N-ethyl-3-(3-methyl-5-nitroimidazol-4-yl)pentan-2-amine
CID 63200285
N-ethyl-3-(2-iodo-4-nitrophenyl)pentan-2-amine
CID 66095362
N-ethyl-3-(2-fluoro-4-nitrophenyl)pentan-2-amine
CID 55162012
N-methyl-3-(5-nitro-2-pyridinyl)butan-2-amine
CID 63199360
3-(5-bromopyrimidin-2-yl)-N-propylbutan-2-amine
CID 63873435

Frequently Asked Questions

What is the IUPAC name of N-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine?
The IUPAC name of N-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine (CID 63199611) is N-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine.
What is the SMILES notation for N-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine?
The canonical SMILES for N-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine is CCNC(C)C(C)c1ncc([N+](=O)[O-])cn1.
What is the InChIKey of N-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine?
The InChIKey is RHRAMBCPVWCOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-4-11-8(3)7(2)10-12-5-9(6-13-10)14(15)16/h5-8,11H,4H2,1-3H3.
What are the key properties of N-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine?
N-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine has a molecular weight of 224.26 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-3-(5-nitropyrimidin-2-yl)butan-2-amine is sourced from PubChem (CID 63199611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).