5-(4-nitrophenyl)pyrimidin-2-amine

C10H8N4O2 — CID 796200

IUPAC5-(4-nitrophenyl)pyrimidin-2-amine
SMILESNc1ncc(-c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C10H8N4O2/c11-10-12-5-8(6-13-10)7-1-3-9(4-2-7)14(15)16/h1-6H,(H2,11,12,13)
InChIKeyOOGXXKVDQXBTEZ-UHFFFAOYSA-N
MW216.20 g/mol
LogP1.63
Rot. Bonds2

About 5-(4-nitrophenyl)pyrimidin-2-amine

5-(4-nitrophenyl)pyrimidin-2-amine (PubChem CID 796200) has the molecular formula C10H8N4O2 and a molecular weight of 216.20 g/mol. Its IUPAC name is 5-(4-nitrophenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name5-(4-nitrophenyl)pyrimidin-2-amine
PubChem CID796200
Molecular FormulaC10H8N4O2
Molecular Weight216.20 g/mol
Exact Mass216.06
IUPAC Name5-(4-nitrophenyl)pyrimidin-2-amine
SMILESNc1ncc(-c2ccc([N+](=O)[O-])cc2)cn1
InChIInChI=1S/C10H8N4O2/c11-10-12-5-8(6-13-10)7-1-3-9(4-2-7)14(15)16/h1-6H,(H2,11,12,13)
InChIKeyOOGXXKVDQXBTEZ-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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Related Compounds

4-Phenylpyrimidine
CID 18923
2-Amino-4-phenylpyrimidine
CID 598777
5-Phenyl-2,4-pyrimidinediamine
CID 134761
5-Methyl-4-phenylpyrimidin-2-amine
CID 317238
6-Ethyl-5-(4-{[(4-nitrophenyl)methyl]amino}phenyl)pyrimidine-2,4-diamine
CID 11337482
4,6-dimethyl-2-[(2E)-2-(3-nitrobenzylidene)hydrazinyl]pyrimidine
CID 9585598
4-Methyl-2-[(4-nitrobenzyl)sulfanyl]pyrimidine
CID 3474733
2,5-Bis(4-aminophenyl)-pyrimidine
CID 652390
BW 49-371
CID 134619
2-(2-Methyl-5-nitroanilino)-4-(3-pyridyl)pyrimidine
CID 10686149
5-Phenylpyrimidin-2-amine
CID 12343511
2-[4-(4-Nitrobenzyl)-1-piperazinyl]pyrimidine
CID 765089

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)pyrimidin-2-amine?
The IUPAC name of 5-(4-nitrophenyl)pyrimidin-2-amine (CID 796200) is 5-(4-nitrophenyl)pyrimidin-2-amine.
What is the SMILES notation for 5-(4-nitrophenyl)pyrimidin-2-amine?
The canonical SMILES for 5-(4-nitrophenyl)pyrimidin-2-amine is Nc1ncc(-c2ccc([N+](=O)[O-])cc2)cn1.
What is the InChIKey of 5-(4-nitrophenyl)pyrimidin-2-amine?
The InChIKey is OOGXXKVDQXBTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4O2/c11-10-12-5-8(6-13-10)7-1-3-9(4-2-7)14(15)16/h1-6H,(H2,11,12,13).
What are the key properties of 5-(4-nitrophenyl)pyrimidin-2-amine?
5-(4-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 5-(4-nitrophenyl)pyrimidin-2-amine is sourced from PubChem (CID 796200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).