4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine

C19H18N6O2 — CID 122446253

IUPAC4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine
SMILESCOc1cc2[nH]c3nc(-c4cnc(N5CCOCC5)nc4)ccc3c2cn1
InChIInChI=1S/C19H18N6O2/c1-26-17-8-16-14(11-20-17)13-2-3-15(23-18(13)24-16)12-9-21-19(22-10-12)25-4-6-27-7-5-25/h2-3,8-11H,4-7H2,1H3,(H,23,24)
InChIKeyUXFZGCVMMPLIHS-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.41
Rot. Bonds3

About 4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine

4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine (PubChem CID 122446253) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine
PubChem CID122446253
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine
SMILESCOc1cc2[nH]c3nc(-c4cnc(N5CCOCC5)nc4)ccc3c2cn1
InChIInChI=1S/C19H18N6O2/c1-26-17-8-16-14(11-20-17)13-2-3-15(23-18(13)24-16)12-9-21-19(22-10-12)25-4-6-27-7-5-25/h2-3,8-11H,4-7H2,1H3,(H,23,24)
InChIKeyUXFZGCVMMPLIHS-UHFFFAOYSA-N
XLogP2.41
TPSA89.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine (CID 122446253) is 4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine is COc1cc2[nH]c3nc(-c4cnc(N5CCOCC5)nc4)ccc3c2cn1.
What is the InChIKey of 4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine?
The InChIKey is UXFZGCVMMPLIHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-26-17-8-16-14(11-20-17)13-2-3-15(23-18(13)24-16)12-9-21-19(22-10-12)25-4-6-27-7-5-25/h2-3,8-11H,4-7H2,1H3,(H,23,24).
What are the key properties of 4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine?
4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine has a molecular weight of 362.39 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(5-methoxy-4,8,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6,10,12-hexaen-11-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 122446253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).