6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine

C13H14N4O2 — CID 62190748

IUPAC6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
SMILESCCc1cc(NC)nc(-c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C13H14N4O2/c1-3-9-8-12(14-2)16-13(15-9)10-6-4-5-7-11(10)17(18)19/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyMTFKNIKRKZYSAB-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.66
Rot. Bonds4

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

6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine (PubChem CID 62190748) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
PubChem CID62190748
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
SMILESCCc1cc(NC)nc(-c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C13H14N4O2/c1-3-9-8-12(14-2)16-13(15-9)10-6-4-5-7-11(10)17(18)19/h4-8H,3H2,1-2H3,(H,14,15,16)
InChIKeyMTFKNIKRKZYSAB-UHFFFAOYSA-N
XLogP2.66
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.66
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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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine?
The IUPAC name of 6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine (CID 62190748) is 6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine is CCc1cc(NC)nc(-c2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of 6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine?
The InChIKey is MTFKNIKRKZYSAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-3-9-8-12(14-2)16-13(15-9)10-6-4-5-7-11(10)17(18)19/h4-8H,3H2,1-2H3,(H,14,15,16).
What are the key properties of 6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine?
6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine has a molecular weight of 258.28 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine is sourced from PubChem (CID 62190748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).