4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine

C15H15N7O2 — CID 16728885

IUPAC4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESCc1nc(NCc2cccnc2)nc(-n2ccnc2C)c1[N+](=O)[O-]
InChIInChI=1S/C15H15N7O2/c1-10-13(22(23)24)14(21-7-6-17-11(21)2)20-15(19-10)18-9-12-4-3-5-16-8-12/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyWQGYNBIOULNNKQ-UHFFFAOYSA-N
MW325.33 g/mol
LogP2.19
Rot. Bonds5

About 4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine

4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine (PubChem CID 16728885) has the molecular formula C15H15N7O2 and a molecular weight of 325.33 g/mol. Its IUPAC name is 4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
PubChem CID16728885
Molecular FormulaC15H15N7O2
Molecular Weight325.33 g/mol
Exact Mass325.13
IUPAC Name4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
SMILESCc1nc(NCc2cccnc2)nc(-n2ccnc2C)c1[N+](=O)[O-]
InChIInChI=1S/C15H15N7O2/c1-10-13(22(23)24)14(21-7-6-17-11(21)2)20-15(19-10)18-9-12-4-3-5-16-8-12/h3-8H,9H2,1-2H3,(H,18,19,20)
InChIKeyWQGYNBIOULNNKQ-UHFFFAOYSA-N
XLogP2.19
TPSA111.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.33
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine (CID 16728885) is 4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine is Cc1nc(NCc2cccnc2)nc(-n2ccnc2C)c1[N+](=O)[O-].
What is the InChIKey of 4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
The InChIKey is WQGYNBIOULNNKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O2/c1-10-13(22(23)24)14(21-7-6-17-11(21)2)20-15(19-10)18-9-12-4-3-5-16-8-12/h3-8H,9H2,1-2H3,(H,18,19,20).
What are the key properties of 4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine?
4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine has a molecular weight of 325.33 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-N-(pyridin-3-ylmethyl)pyrimidin-2-amine is sourced from PubChem (CID 16728885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).