4-[6-chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine

C12H18ClN3O2 — CID 22046925

IUPAC4-[6-chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine
SMILESCOCCCc1nc(Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C12H18ClN3O2/c1-17-6-2-3-11-14-10(13)9-12(15-11)16-4-7-18-8-5-16/h9H,2-8H2,1H3
InChIKeyPZQCOVTVWXDXMN-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.55
Rot. Bonds5

About 4-[6-chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine

4-[6-chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine (PubChem CID 22046925) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 4-[6-chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine
PubChem CID22046925
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name4-[6-chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine
SMILESCOCCCc1nc(Cl)cc(N2CCOCC2)n1
InChIInChI=1S/C12H18ClN3O2/c1-17-6-2-3-11-14-10(13)9-12(15-11)16-4-7-18-8-5-16/h9H,2-8H2,1H3
InChIKeyPZQCOVTVWXDXMN-UHFFFAOYSA-N
XLogP1.55
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine (CID 22046925) is 4-[6-chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine is COCCCc1nc(Cl)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[6-chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine?
The InChIKey is PZQCOVTVWXDXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-17-6-2-3-11-14-10(13)9-12(15-11)16-4-7-18-8-5-16/h9H,2-8H2,1H3.
What are the key properties of 4-[6-chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine?
4-[6-chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine has a molecular weight of 271.75 g/mol, XLogP of 1.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-2-(3-methoxypropyl)pyrimidin-4-yl]morpholine is sourced from PubChem (CID 22046925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).