5-nitroso-6-pentoxypyrimidine-2,4-diamine

C9H15N5O2 — CID 5329579

IUPAC5-nitroso-6-pentoxypyrimidine-2,4-diamine
SMILESCCCCCOc1nc(N)nc(N)c1N=O
InChIInChI=1S/C9H15N5O2/c1-2-3-4-5-16-8-6(14-15)7(10)12-9(11)13-8/h2-5H2,1H3,(H4,10,11,12,13)
InChIKeyUOHYWFRDWRAPIE-UHFFFAOYSA-N
MW225.25 g/mol
LogP1.61
Rot. Bonds6

About 5-nitroso-6-pentoxypyrimidine-2,4-diamine

5-nitroso-6-pentoxypyrimidine-2,4-diamine (PubChem CID 5329579) has the molecular formula C9H15N5O2 and a molecular weight of 225.25 g/mol. Its IUPAC name is 5-nitroso-6-pentoxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-nitroso-6-pentoxypyrimidine-2,4-diamine
PubChem CID5329579
Molecular FormulaC9H15N5O2
Molecular Weight225.25 g/mol
Exact Mass225.12
IUPAC Name5-nitroso-6-pentoxypyrimidine-2,4-diamine
SMILESCCCCCOc1nc(N)nc(N)c1N=O
InChIInChI=1S/C9H15N5O2/c1-2-3-4-5-16-8-6(14-15)7(10)12-9(11)13-8/h2-5H2,1H3,(H4,10,11,12,13)
InChIKeyUOHYWFRDWRAPIE-UHFFFAOYSA-N
XLogP1.61
TPSA116.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nitroso-6-pentoxypyrimidine-2,4-diamine?
The IUPAC name of 5-nitroso-6-pentoxypyrimidine-2,4-diamine (CID 5329579) is 5-nitroso-6-pentoxypyrimidine-2,4-diamine.
What is the SMILES notation for 5-nitroso-6-pentoxypyrimidine-2,4-diamine?
The canonical SMILES for 5-nitroso-6-pentoxypyrimidine-2,4-diamine is CCCCCOc1nc(N)nc(N)c1N=O.
What is the InChIKey of 5-nitroso-6-pentoxypyrimidine-2,4-diamine?
The InChIKey is UOHYWFRDWRAPIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N5O2/c1-2-3-4-5-16-8-6(14-15)7(10)12-9(11)13-8/h2-5H2,1H3,(H4,10,11,12,13).
What are the key properties of 5-nitroso-6-pentoxypyrimidine-2,4-diamine?
5-nitroso-6-pentoxypyrimidine-2,4-diamine has a molecular weight of 225.25 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitroso-6-pentoxypyrimidine-2,4-diamine is sourced from PubChem (CID 5329579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).