6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine

C8H11N5O — CID 57403334

IUPAC6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1ncnc(NC)c1N=O
InChIInChI=1S/C8H11N5O/c1-3-4-10-8-6(13-14)7(9-2)11-5-12-8/h3,5H,1,4H2,2H3,(H2,9,10,11,12)
InChIKeyUHLXTTUOSZKSPP-UHFFFAOYSA-N
MW193.21 g/mol
LogP1.51
Rot. Bonds5

About 6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine

6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine (PubChem CID 57403334) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine
PubChem CID57403334
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine
SMILESC=CCNc1ncnc(NC)c1N=O
InChIInChI=1S/C8H11N5O/c1-3-4-10-8-6(13-14)7(9-2)11-5-12-8/h3,5H,1,4H2,2H3,(H2,9,10,11,12)
InChIKeyUHLXTTUOSZKSPP-UHFFFAOYSA-N
XLogP1.51
TPSA79.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine (CID 57403334) is 6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine is C=CCNc1ncnc(NC)c1N=O.
What is the InChIKey of 6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine?
The InChIKey is UHLXTTUOSZKSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c1-3-4-10-8-6(13-14)7(9-2)11-5-12-8/h3,5H,1,4H2,2H3,(H2,9,10,11,12).
What are the key properties of 6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine?
6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine has a molecular weight of 193.21 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-methyl-5-nitroso-4-N-prop-2-enylpyrimidine-4,6-diamine is sourced from PubChem (CID 57403334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).