N-[(4-nitrophenyl)methyl]pyrimidin-2-amine

C11H10N4O2 — CID 22569285

IUPACN-[(4-nitrophenyl)methyl]pyrimidin-2-amine
SMILESO=[N+]([O-])c1ccc(CNc2ncccn2)cc1
InChIInChI=1S/C11H10N4O2/c16-15(17)10-4-2-9(3-5-10)8-14-11-12-6-1-7-13-11/h1-7H,8H2,(H,12,13,14)
InChIKeyZUYLAIBQWHNNGZ-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.00
Rot. Bonds4

About N-[(4-nitrophenyl)methyl]pyrimidin-2-amine

N-[(4-nitrophenyl)methyl]pyrimidin-2-amine (PubChem CID 22569285) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N-[(4-nitrophenyl)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-[(4-nitrophenyl)methyl]pyrimidin-2-amine
PubChem CID22569285
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC NameN-[(4-nitrophenyl)methyl]pyrimidin-2-amine
SMILESO=[N+]([O-])c1ccc(CNc2ncccn2)cc1
InChIInChI=1S/C11H10N4O2/c16-15(17)10-4-2-9(3-5-10)8-14-11-12-6-1-7-13-11/h1-7H,8H2,(H,12,13,14)
InChIKeyZUYLAIBQWHNNGZ-UHFFFAOYSA-N
XLogP2.00
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.00
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 N-[(4-nitrophenyl)methyl]pyrimidin-2-amine?
The IUPAC name of N-[(4-nitrophenyl)methyl]pyrimidin-2-amine (CID 22569285) is N-[(4-nitrophenyl)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-[(4-nitrophenyl)methyl]pyrimidin-2-amine?
The canonical SMILES for N-[(4-nitrophenyl)methyl]pyrimidin-2-amine is O=[N+]([O-])c1ccc(CNc2ncccn2)cc1.
What is the InChIKey of N-[(4-nitrophenyl)methyl]pyrimidin-2-amine?
The InChIKey is ZUYLAIBQWHNNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-15(17)10-4-2-9(3-5-10)8-14-11-12-6-1-7-13-11/h1-7H,8H2,(H,12,13,14).
What are the key properties of N-[(4-nitrophenyl)methyl]pyrimidin-2-amine?
N-[(4-nitrophenyl)methyl]pyrimidin-2-amine has a molecular weight of 230.23 g/mol, XLogP of 2.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-nitrophenyl)methyl]pyrimidin-2-amine is sourced from PubChem (CID 22569285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).