4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine

C10H12Cl3N3O — CID 56973360

IUPAC4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine
SMILESClCCc1c(Cl)nc(N2CCOCC2)nc1Cl
InChIInChI=1S/C10H12Cl3N3O/c11-2-1-7-8(12)14-10(15-9(7)13)16-3-5-17-6-4-16/h1-6H2
InChIKeyPUTVNEMQQZJURT-UHFFFAOYSA-N
MW296.59 g/mol
LogP2.40
Rot. Bonds3

About 4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine

4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine (PubChem CID 56973360) has the molecular formula C10H12Cl3N3O and a molecular weight of 296.59 g/mol. Its IUPAC name is 4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine
PubChem CID56973360
Molecular FormulaC10H12Cl3N3O
Molecular Weight296.59 g/mol
Exact Mass295.00
IUPAC Name4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine
SMILESClCCc1c(Cl)nc(N2CCOCC2)nc1Cl
InChIInChI=1S/C10H12Cl3N3O/c11-2-1-7-8(12)14-10(15-9(7)13)16-3-5-17-6-4-16/h1-6H2
InChIKeyPUTVNEMQQZJURT-UHFFFAOYSA-N
XLogP2.40
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.59
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine (CID 56973360) is 4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine is ClCCc1c(Cl)nc(N2CCOCC2)nc1Cl.
What is the InChIKey of 4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine?
The InChIKey is PUTVNEMQQZJURT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl3N3O/c11-2-1-7-8(12)14-10(15-9(7)13)16-3-5-17-6-4-16/h1-6H2.
What are the key properties of 4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine?
4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine has a molecular weight of 296.59 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,6-dichloro-5-(2-chloroethyl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 56973360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).