4-(3-nitrophenyl)pyrimidin-2-amine

C10H8N4O2 — CID 2735382

IUPAC4-(3-nitrophenyl)pyrimidin-2-amine
SMILESNc1nccc(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C10H8N4O2/c11-10-12-5-4-9(13-10)7-2-1-3-8(6-7)14(15)16/h1-6H,(H2,11,12,13)
InChIKeyPHOLBBCMCYYTSJ-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.63
Rot. Bonds2

About 4-(3-nitrophenyl)pyrimidin-2-amine

4-(3-nitrophenyl)pyrimidin-2-amine (PubChem CID 2735382) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 4-(3-nitrophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(3-nitrophenyl)pyrimidin-2-amine
PubChem CID2735382
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name4-(3-nitrophenyl)pyrimidin-2-amine
SMILESNc1nccc(-c2cccc([N+](=O)[O-])c2)n1
InChIInChI=1S/C10H8N4O2/c11-10-12-5-4-9(13-10)7-2-1-3-8(6-7)14(15)16/h1-6H,(H2,11,12,13)
InChIKeyPHOLBBCMCYYTSJ-UHFFFAOYSA-N
XLogP1.63
TPSA94.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.20
LogP ≤ 51.63
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 4-(3-nitrophenyl)pyrimidin-2-amine?
The IUPAC name of 4-(3-nitrophenyl)pyrimidin-2-amine (CID 2735382) is 4-(3-nitrophenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(3-nitrophenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(3-nitrophenyl)pyrimidin-2-amine is Nc1nccc(-c2cccc([N+](=O)[O-])c2)n1.
What is the InChIKey of 4-(3-nitrophenyl)pyrimidin-2-amine?
The InChIKey is PHOLBBCMCYYTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c11-10-12-5-4-9(13-10)7-2-1-3-8(6-7)14(15)16/h1-6H,(H2,11,12,13).
What are the key properties of 4-(3-nitrophenyl)pyrimidin-2-amine?
4-(3-nitrophenyl)pyrimidin-2-amine has a molecular weight of 216.20 g/mol, XLogP of 1.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-nitrophenyl)pyrimidin-2-amine is sourced from PubChem (CID 2735382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).