4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine

C14H21ClN4O — CID 83184055

IUPAC4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine
SMILESCc1nc(N2CCC(N3CCOCC3)C2)ncc1CCl
InChIInChI=1S/C14H21ClN4O/c1-11-12(8-15)9-16-14(17-11)19-3-2-13(10-19)18-4-6-20-7-5-18/h9,13H,2-8,10H2,1H3
InChIKeyBNMNDCMMOXUJQX-UHFFFAOYSA-N
MW296.80 g/mol
LogP1.43
Rot. Bonds3

About 4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine

4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine (PubChem CID 83184055) has the molecular formula C14H21ClN4O and a molecular weight of 296.80 g/mol. Its IUPAC name is 4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine.

Molecular Properties

Compound Name4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine
PubChem CID83184055
Molecular FormulaC14H21ClN4O
Molecular Weight296.80 g/mol
Exact Mass296.14
IUPAC Name4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine
SMILESCc1nc(N2CCC(N3CCOCC3)C2)ncc1CCl
InChIInChI=1S/C14H21ClN4O/c1-11-12(8-15)9-16-14(17-11)19-3-2-13(10-19)18-4-6-20-7-5-18/h9,13H,2-8,10H2,1H3
InChIKeyBNMNDCMMOXUJQX-UHFFFAOYSA-N
XLogP1.43
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.80
LogP ≤ 51.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine?
The IUPAC name of 4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine (CID 83184055) is 4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine.
What is the SMILES notation for 4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine?
The canonical SMILES for 4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine is Cc1nc(N2CCC(N3CCOCC3)C2)ncc1CCl.
What is the InChIKey of 4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine?
The InChIKey is BNMNDCMMOXUJQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN4O/c1-11-12(8-15)9-16-14(17-11)19-3-2-13(10-19)18-4-6-20-7-5-18/h9,13H,2-8,10H2,1H3.
What are the key properties of 4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine?
4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine has a molecular weight of 296.80 g/mol, XLogP of 1.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[5-(chloromethyl)-4-methylpyrimidin-2-yl]pyrrolidin-3-yl]morpholine is sourced from PubChem (CID 83184055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).