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

C10H10N6O2 — CID 10586491

IUPAC5-nitroso-6-(pyridin-4-ylmethoxy)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(N=O)c(OCc2ccncc2)n1
InChIInChI=1S/C10H10N6O2/c11-8-7(16-17)9(15-10(12)14-8)18-5-6-1-3-13-4-2-6/h1-4H,5H2,(H4,11,12,14,15)
InChIKeyBBSXXLUWISWPMK-UHFFFAOYSA-N
MW246.23 g/mol
LogP1.01
Rot. Bonds4

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

5-nitroso-6-(pyridin-4-ylmethoxy)pyrimidine-2,4-diamine (PubChem CID 10586491) has the molecular formula C10H10N6O2 and a molecular weight of 246.23 g/mol. Its IUPAC name is 5-nitroso-6-(pyridin-4-ylmethoxy)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-nitroso-6-(pyridin-4-ylmethoxy)pyrimidine-2,4-diamine
PubChem CID10586491
Molecular FormulaC10H10N6O2
Molecular Weight246.23 g/mol
Exact Mass246.09
IUPAC Name5-nitroso-6-(pyridin-4-ylmethoxy)pyrimidine-2,4-diamine
SMILESNc1nc(N)c(N=O)c(OCc2ccncc2)n1
InChIInChI=1S/C10H10N6O2/c11-8-7(16-17)9(15-10(12)14-8)18-5-6-1-3-13-4-2-6/h1-4H,5H2,(H4,11,12,14,15)
InChIKeyBBSXXLUWISWPMK-UHFFFAOYSA-N
XLogP1.01
TPSA129.37 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-nitroso-6-(pyridin-4-ylmethoxy)pyrimidine-2,4-diamine?
The IUPAC name of 5-nitroso-6-(pyridin-4-ylmethoxy)pyrimidine-2,4-diamine (CID 10586491) is 5-nitroso-6-(pyridin-4-ylmethoxy)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-nitroso-6-(pyridin-4-ylmethoxy)pyrimidine-2,4-diamine?
The canonical SMILES for 5-nitroso-6-(pyridin-4-ylmethoxy)pyrimidine-2,4-diamine is Nc1nc(N)c(N=O)c(OCc2ccncc2)n1.
What is the InChIKey of 5-nitroso-6-(pyridin-4-ylmethoxy)pyrimidine-2,4-diamine?
The InChIKey is BBSXXLUWISWPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N6O2/c11-8-7(16-17)9(15-10(12)14-8)18-5-6-1-3-13-4-2-6/h1-4H,5H2,(H4,11,12,14,15).
What are the key properties of 5-nitroso-6-(pyridin-4-ylmethoxy)pyrimidine-2,4-diamine?
5-nitroso-6-(pyridin-4-ylmethoxy)pyrimidine-2,4-diamine has a molecular weight of 246.23 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-6-(pyridin-4-ylmethoxy)pyrimidine-2,4-diamine is sourced from PubChem (CID 10586491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).