4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine

C10H14ClN7O — CID 76806794

IUPAC4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine
SMILESCC1COC(CN=[N+]=[N-])CN1c1cc(Cl)nc(N)n1
InChIInChI=1S/C10H14ClN7O/c1-6-5-19-7(3-14-17-13)4-18(6)9-2-8(11)15-10(12)16-9/h2,6-7H,3-5H2,1H3,(H2,12,15,16)
InChIKeyMGRYAHCSAQLESX-UHFFFAOYSA-N
MW283.72 g/mol
LogP1.62
Rot. Bonds3

About 4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine

4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine (PubChem CID 76806794) has the molecular formula C10H14ClN7O and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine
PubChem CID76806794
Molecular FormulaC10H14ClN7O
Molecular Weight283.72 g/mol
Exact Mass283.09
IUPAC Name4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine
SMILESCC1COC(CN=[N+]=[N-])CN1c1cc(Cl)nc(N)n1
InChIInChI=1S/C10H14ClN7O/c1-6-5-19-7(3-14-17-13)4-18(6)9-2-8(11)15-10(12)16-9/h2,6-7H,3-5H2,1H3,(H2,12,15,16)
InChIKeyMGRYAHCSAQLESX-UHFFFAOYSA-N
XLogP1.62
TPSA113.03 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine?
The IUPAC name of 4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine (CID 76806794) is 4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine.
What is the SMILES notation for 4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine?
The canonical SMILES for 4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine is CC1COC(CN=[N+]=[N-])CN1c1cc(Cl)nc(N)n1.
What is the InChIKey of 4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine?
The InChIKey is MGRYAHCSAQLESX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN7O/c1-6-5-19-7(3-14-17-13)4-18(6)9-2-8(11)15-10(12)16-9/h2,6-7H,3-5H2,1H3,(H2,12,15,16).
What are the key properties of 4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine?
4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine has a molecular weight of 283.72 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(azidomethyl)-5-methylmorpholin-4-yl]-6-chloropyrimidin-2-amine is sourced from PubChem (CID 76806794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).