N-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine

C10H14N4O3 — CID 114044853

IUPACN-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine
SMILESC=CCOc1nc(NCC)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c1-4-6-17-9-8(14(15)16)7(3)12-10(13-9)11-5-2/h4H,1,5-6H2,2-3H3,(H,11,12,13)
InChIKeyXDVIARNKMSJYOL-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.69
Rot. Bonds6

About N-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine

N-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine (PubChem CID 114044853) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine
PubChem CID114044853
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine
SMILESC=CCOc1nc(NCC)nc(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c1-4-6-17-9-8(14(15)16)7(3)12-10(13-9)11-5-2/h4H,1,5-6H2,2-3H3,(H,11,12,13)
InChIKeyXDVIARNKMSJYOL-UHFFFAOYSA-N
XLogP1.69
TPSA90.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine with MolForge

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

Launch Full Analysis

Related Compounds

4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine
CID 25421423
2-N,4-N-diethyl-6-methyl-5-nitropyrimidine-2,4-diamine
CID 18801447
4-(2-cyclobutylethoxy)-N-ethyl-6-methyl-5-nitropyrimidin-2-amine
CID 106207830
2-[[2-(ethylamino)-6-methyl-5-nitropyrimidin-4-yl]amino]ethanol
CID 114044118
3-[[2-(ethylamino)-6-methyl-5-nitropyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198575
2-[[2-(ethylamino)-6-methyl-5-nitropyrimidin-4-yl]amino]-3-methylbutanamide
CID 106347443
N-ethyl-4-methoxy-6-prop-2-enoxy-1,3,5-triazin-2-amine
CID 80868544
5-nitro-6-prop-2-enoxypyrimidin-4-amine
CID 80868030
2-ethyl-5-nitro-N-prop-2-enyl-6-propoxypyrimidin-4-amine
CID 82454936
6-but-3-enoxy-N-ethyl-5-nitropyridin-2-amine
CID 80861167
N,2-diethyl-5-methyl-6-prop-2-enoxypyrimidin-4-amine
CID 80988312
3-but-3-enoxy-N-ethyl-2-nitroaniline
CID 80862115

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine?
The IUPAC name of N-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine (CID 114044853) is N-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine is C=CCOc1nc(NCC)nc(C)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine?
The InChIKey is XDVIARNKMSJYOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-4-6-17-9-8(14(15)16)7(3)12-10(13-9)11-5-2/h4H,1,5-6H2,2-3H3,(H,11,12,13).
What are the key properties of N-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine?
N-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine has a molecular weight of 238.25 g/mol, XLogP of 1.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-methyl-5-nitro-6-prop-2-enoxypyrimidin-2-amine is sourced from PubChem (CID 114044853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).