4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine

C10H10N6O2 — CID 2959214

IUPAC4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc(N)c2[N+](=O)[O-])n1
InChIInChI=1S/C10H10N6O2/c1-6-3-2-4-7(14-6)15-10-8(16(17)18)9(11)12-5-13-10/h2-5H,1H3,(H3,11,12,13,14,15)
InChIKeyICRKHNZBRJUJBU-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.41
Rot. Bonds3

About 4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine

4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine (PubChem CID 2959214) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
PubChem CID2959214
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine
SMILESCc1cccc(Nc2ncnc(N)c2[N+](=O)[O-])n1
InChIInChI=1S/C10H10N6O2/c1-6-3-2-4-7(14-6)15-10-8(16(17)18)9(11)12-5-13-10/h2-5H,1H3,(H3,11,12,13,14,15)
InChIKeyICRKHNZBRJUJBU-UHFFFAOYSA-N
XLogP1.41
TPSA119.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine?
The IUPAC name of 4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine (CID 2959214) is 4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine is Cc1cccc(Nc2ncnc(N)c2[N+](=O)[O-])n1.
What is the InChIKey of 4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine?
The InChIKey is ICRKHNZBRJUJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c1-6-3-2-4-7(14-6)15-10-8(16(17)18)9(11)12-5-13-10/h2-5H,1H3,(H3,11,12,13,14,15).
What are the key properties of 4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine?
4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine has a molecular weight of 246.23 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(6-methyl-2-pyridinyl)-5-nitropyrimidine-4,6-diamine is sourced from PubChem (CID 2959214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).