N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine

C14H16N4O2 — CID 62192376

IUPACN-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc([N+](=O)[O-])cc2)nc(C)c1C
InChIInChI=1S/C14H16N4O2/c1-4-15-13-9(2)10(3)16-14(17-13)11-5-7-12(8-6-11)18(19)20/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeyCTSCZINCRHRLDR-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.10
Rot. Bonds4

About N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine

N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine (PubChem CID 62192376) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine
PubChem CID62192376
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine
SMILESCCNc1nc(-c2ccc([N+](=O)[O-])cc2)nc(C)c1C
InChIInChI=1S/C14H16N4O2/c1-4-15-13-9(2)10(3)16-14(17-13)11-5-7-12(8-6-11)18(19)20/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeyCTSCZINCRHRLDR-UHFFFAOYSA-N
XLogP3.10
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.10
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

5,6-dimethyl-2-(3-nitrophenyl)-N-propylpyrimidin-4-amine
CID 62192565
5-bromo-N-ethyl-6-methyl-2-(3-nitrophenyl)pyrimidin-4-amine
CID 66305276
N-ethyl-3-(4-nitrophenyl)pyrazin-2-amine
CID 112559321
N-ethyl-5-fluoro-6-methyl-2-(2-methyl-5-nitrophenyl)pyrimidin-4-amine
CID 66000791
N-ethyl-1-[4-methyl-2-(4-nitrophenyl)pyrimidin-5-yl]ethanamine
CID 62771904
4-[4-(ethylamino)-5,6-dimethylpyrimidin-2-yl]-2,6-dimethylphenol
CID 135978666
4-methyl-2-(4-nitrophenyl)quinazoline
CID 742061
N,5-diethyl-2-(4-fluorophenyl)-6-methylpyrimidin-4-amine
CID 62192315
N-ethyl-5,6-dimethyl-2-naphthalen-1-ylpyrimidin-4-amine
CID 63486132
N-methyl-2-(4-nitrophenyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 62191053
3-(4-nitrophenyl)-N-propyl-1,2,4-oxadiazol-5-amine
CID 62594488
N-methyl-2-(4-nitrophenyl)-5,6,7,8-tetrahydroquinazolin-4-amine
CID 62190595

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine (CID 62192376) is N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine is CCNc1nc(-c2ccc([N+](=O)[O-])cc2)nc(C)c1C.
What is the InChIKey of N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine?
The InChIKey is CTSCZINCRHRLDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-4-15-13-9(2)10(3)16-14(17-13)11-5-7-12(8-6-11)18(19)20/h5-8H,4H2,1-3H3,(H,15,16,17).
What are the key properties of N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine?
N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine has a molecular weight of 272.31 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5,6-dimethyl-2-(4-nitrophenyl)pyrimidin-4-amine is sourced from PubChem (CID 62192376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).