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

C14H16N4O2 — CID 3536579

IUPACN-ethyl-4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine
SMILESCCN(c1ccc([N+](=O)[O-])cc1)c1nc(C)cc(C)n1
InChIInChI=1S/C14H16N4O2/c1-4-17(14-15-10(2)9-11(3)16-14)12-5-7-13(8-6-12)18(19)20/h5-9H,4H2,1-3H3
InChIKeyFUDWIJZNTMPQGL-UHFFFAOYSA-N
MW272.31 g/mol
LogP3.16
Rot. Bonds4

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

N-ethyl-4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine (PubChem CID 3536579) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-ethyl-4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine
PubChem CID3536579
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-ethyl-4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine
SMILESCCN(c1ccc([N+](=O)[O-])cc1)c1nc(C)cc(C)n1
InChIInChI=1S/C14H16N4O2/c1-4-17(14-15-10(2)9-11(3)16-14)12-5-7-13(8-6-12)18(19)20/h5-9H,4H2,1-3H3
InChIKeyFUDWIJZNTMPQGL-UHFFFAOYSA-N
XLogP3.16
TPSA72.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 53.16
H-Bond Donors ≤ 50
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

4-N-(4,6-dimethylpyrimidin-2-yl)-4-N-ethylbenzene-1,4-diamine
CID 2761111
2-(N-ethyl-4-fluoroanilino)-6-methylpyrimidine-4-carboxylic acid
CID 107553719
N,N-diethyl-4-(4-nitrophenyl)aniline
CID 21449597
2,5-dimethyl-1-N,1-N,4-N,4-N-tetrakis(4-nitrophenyl)benzene-1,4-diamine
CID 89352542
N-ethyl-3-fluoro-N-(4-methylphenyl)-5-nitroaniline
CID 80752839
(N-ethyl-4-nitroanilino)methanol
CID 19938996
N-butyl-N-(4-nitrophenyl)pyridin-4-amine
CID 125493735
N-ethyl-2-(N-ethylanilino)-6-methyl-N-phenylpyrimidine-4-carboxamide
CID 109336345
3,5-difluoro-N,N-bis(4-nitrophenyl)aniline
CID 177256048
N-(3,5-dimethylphenyl)-N-ethyl-4-nitrobenzenesulfonamide
CID 94622914
ethanol;1-methyl-4-nitrobenzene
CID 91088173
N-methyl-4-nitro-N-prop-2-enylaniline
CID 19702684

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine (CID 3536579) is N-ethyl-4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine is CCN(c1ccc([N+](=O)[O-])cc1)c1nc(C)cc(C)n1.
What is the InChIKey of N-ethyl-4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine?
The InChIKey is FUDWIJZNTMPQGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-4-17(14-15-10(2)9-11(3)16-14)12-5-7-13(8-6-12)18(19)20/h5-9H,4H2,1-3H3.
What are the key properties of N-ethyl-4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine?
N-ethyl-4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine has a molecular weight of 272.31 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4,6-dimethyl-N-(4-nitrophenyl)pyrimidin-2-amine is sourced from PubChem (CID 3536579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).