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

C12H12N4O2 — CID 62190534

IUPACN,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine
SMILESCNc1cc(C)nc(-c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H12N4O2/c1-8-7-11(13-2)15-12(14-8)9-5-3-4-6-10(9)16(17)18/h3-7H,1-2H3,(H,13,14,15)
InChIKeyBPTLITGODFMKKV-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.40
Rot. Bonds3

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

N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine (PubChem CID 62190534) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine
PubChem CID62190534
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC NameN,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine
SMILESCNc1cc(C)nc(-c2ccccc2[N+](=O)[O-])n1
InChIInChI=1S/C12H12N4O2/c1-8-7-11(13-2)15-12(14-8)9-5-3-4-6-10(9)16(17)18/h3-7H,1-2H3,(H,13,14,15)
InChIKeyBPTLITGODFMKKV-UHFFFAOYSA-N
XLogP2.40
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.40
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,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine (CID 62190534) is N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine is CNc1cc(C)nc(-c2ccccc2[N+](=O)[O-])n1.
What is the InChIKey of N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine?
The InChIKey is BPTLITGODFMKKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-8-7-11(13-2)15-12(14-8)9-5-3-4-6-10(9)16(17)18/h3-7H,1-2H3,(H,13,14,15).
What are the key properties of N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine?
N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine has a molecular weight of 244.25 g/mol, XLogP of 2.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine is sourced from PubChem (CID 62190534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).