4-(2,6,7-trichloropteridin-4-yl)morpholine

C10H8Cl3N5O — CID 13371656

IUPAC4-(2,6,7-trichloropteridin-4-yl)morpholine
SMILESClc1nc(N2CCOCC2)c2nc(Cl)c(Cl)nc2n1
InChIInChI=1S/C10H8Cl3N5O/c11-6-7(12)15-8-5(14-6)9(17-10(13)16-8)18-1-3-19-4-2-18/h1-4H2
InChIKeyITSCEGMNFQHHNQ-UHFFFAOYSA-N
MW320.57 g/mol
LogP2.22
Rot. Bonds1

About 4-(2,6,7-trichloropteridin-4-yl)morpholine

4-(2,6,7-trichloropteridin-4-yl)morpholine (PubChem CID 13371656) has the molecular formula C10H8Cl3N5O and a molecular weight of 320.57 g/mol. Its IUPAC name is 4-(2,6,7-trichloropteridin-4-yl)morpholine.

Molecular Properties

Compound Name4-(2,6,7-trichloropteridin-4-yl)morpholine
PubChem CID13371656
Molecular FormulaC10H8Cl3N5O
Molecular Weight320.57 g/mol
Exact Mass318.98
IUPAC Name4-(2,6,7-trichloropteridin-4-yl)morpholine
SMILESClc1nc(N2CCOCC2)c2nc(Cl)c(Cl)nc2n1
InChIInChI=1S/C10H8Cl3N5O/c11-6-7(12)15-8-5(14-6)9(17-10(13)16-8)18-1-3-19-4-2-18/h1-4H2
InChIKeyITSCEGMNFQHHNQ-UHFFFAOYSA-N
XLogP2.22
TPSA64.03 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.57
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2,6,7-trichloropteridin-4-yl)morpholine?
The IUPAC name of 4-(2,6,7-trichloropteridin-4-yl)morpholine (CID 13371656) is 4-(2,6,7-trichloropteridin-4-yl)morpholine.
What is the SMILES notation for 4-(2,6,7-trichloropteridin-4-yl)morpholine?
The canonical SMILES for 4-(2,6,7-trichloropteridin-4-yl)morpholine is Clc1nc(N2CCOCC2)c2nc(Cl)c(Cl)nc2n1.
What is the InChIKey of 4-(2,6,7-trichloropteridin-4-yl)morpholine?
The InChIKey is ITSCEGMNFQHHNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl3N5O/c11-6-7(12)15-8-5(14-6)9(17-10(13)16-8)18-1-3-19-4-2-18/h1-4H2.
What are the key properties of 4-(2,6,7-trichloropteridin-4-yl)morpholine?
4-(2,6,7-trichloropteridin-4-yl)morpholine has a molecular weight of 320.57 g/mol, XLogP of 2.22, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,6,7-trichloropteridin-4-yl)morpholine is sourced from PubChem (CID 13371656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).