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

C14H16N4O2 — CID 62191254

IUPAC5-ethyl-N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine
SMILESCCc1c(C)nc(-c2ccccc2[N+](=O)[O-])nc1NC
InChIInChI=1S/C14H16N4O2/c1-4-10-9(2)16-14(17-13(10)15-3)11-7-5-6-8-12(11)18(19)20/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeySRKIABDQKCMAJU-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.96
Rot. Bonds4

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

5-ethyl-N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine (PubChem CID 62191254) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 5-ethyl-N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-ethyl-N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine
PubChem CID62191254
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name5-ethyl-N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine
SMILESCCc1c(C)nc(-c2ccccc2[N+](=O)[O-])nc1NC
InChIInChI=1S/C14H16N4O2/c1-4-10-9(2)16-14(17-13(10)15-3)11-7-5-6-8-12(11)18(19)20/h5-8H,4H2,1-3H3,(H,15,16,17)
InChIKeySRKIABDQKCMAJU-UHFFFAOYSA-N
XLogP2.96
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 ≤ 52.96
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 5-ethyl-N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine?
The IUPAC name of 5-ethyl-N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine (CID 62191254) is 5-ethyl-N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine.
What is the SMILES notation for 5-ethyl-N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine?
The canonical SMILES for 5-ethyl-N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine is CCc1c(C)nc(-c2ccccc2[N+](=O)[O-])nc1NC.
What is the InChIKey of 5-ethyl-N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine?
The InChIKey is SRKIABDQKCMAJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-4-10-9(2)16-14(17-13(10)15-3)11-7-5-6-8-12(11)18(19)20/h5-8H,4H2,1-3H3,(H,15,16,17).
What are the key properties of 5-ethyl-N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine?
5-ethyl-N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine has a molecular weight of 272.31 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine is sourced from PubChem (CID 62191254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).