5-nitro-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine

C10H10N6O3 — CID 10753919

IUPAC5-nitro-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine
SMILESNc1nc(N)c([N+](=O)[O-])c(OCc2cccnc2)n1
InChIInChI=1S/C10H10N6O3/c11-8-7(16(17)18)9(15-10(12)14-8)19-5-6-2-1-3-13-4-6/h1-4H,5H2,(H4,11,12,14,15)
InChIKeyRKEKPSQLKNKPKS-UHFFFAOYSA-N
MW262.23 g/mol
LogP0.52
Rot. Bonds4

About 5-nitro-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine

5-nitro-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine (PubChem CID 10753919) has the molecular formula C10H10N6O3 and a molecular weight of 262.23 g/mol. Its IUPAC name is 5-nitro-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-nitro-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine
PubChem CID10753919
Molecular FormulaC10H10N6O3
Molecular Weight262.23 g/mol
Exact Mass262.08
IUPAC Name5-nitro-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine
SMILESNc1nc(N)c([N+](=O)[O-])c(OCc2cccnc2)n1
InChIInChI=1S/C10H10N6O3/c11-8-7(16(17)18)9(15-10(12)14-8)19-5-6-2-1-3-13-4-6/h1-4H,5H2,(H4,11,12,14,15)
InChIKeyRKEKPSQLKNKPKS-UHFFFAOYSA-N
XLogP0.52
TPSA143.08 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 50.52
H-Bond Donors ≤ 52
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 5-nitro-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine?
The IUPAC name of 5-nitro-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine (CID 10753919) is 5-nitro-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-nitro-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 5-nitro-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine is Nc1nc(N)c([N+](=O)[O-])c(OCc2cccnc2)n1.
What is the InChIKey of 5-nitro-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine?
The InChIKey is RKEKPSQLKNKPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O3/c11-8-7(16(17)18)9(15-10(12)14-8)19-5-6-2-1-3-13-4-6/h1-4H,5H2,(H4,11,12,14,15).
What are the key properties of 5-nitro-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine?
5-nitro-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine has a molecular weight of 262.23 g/mol, XLogP of 0.52, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-6-(pyridin-3-ylmethoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 10753919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).