6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine

C9H15N5O2 — CID 5329581

IUPAC6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine
SMILESCC(C)CCOc1nc(N)nc(N)c1N=O
InChIInChI=1S/C9H15N5O2/c1-5(2)3-4-16-8-6(14-15)7(10)12-9(11)13-8/h5H,3-4H2,1-2H3,(H4,10,11,12,13)
InChIKeyLCEKNRUNVMCCCT-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.46
Rot. Bonds5

About 6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine

6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine (PubChem CID 5329581) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine
PubChem CID5329581
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine
SMILESCC(C)CCOc1nc(N)nc(N)c1N=O
InChIInChI=1S/C9H15N5O2/c1-5(2)3-4-16-8-6(14-15)7(10)12-9(11)13-8/h5H,3-4H2,1-2H3,(H4,10,11,12,13)
InChIKeyLCEKNRUNVMCCCT-UHFFFAOYSA-N
XLogP1.46
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine?
The IUPAC name of 6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine (CID 5329581) is 6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine.
What is the SMILES notation for 6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine?
The canonical SMILES for 6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine is CC(C)CCOc1nc(N)nc(N)c1N=O.
What is the InChIKey of 6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine?
The InChIKey is LCEKNRUNVMCCCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-5(2)3-4-16-8-6(14-15)7(10)12-9(11)13-8/h5H,3-4H2,1-2H3,(H4,10,11,12,13).
What are the key properties of 6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine?
6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine has a molecular weight of 225.25 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-methylbutoxy)-5-nitrosopyrimidine-2,4-diamine is sourced from PubChem (CID 5329581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).