5-chloro-4-[2-(chloromethyl)morpholin-4-yl]-1H-pyrimidin-6-one

C9H11Cl2N3O2 — CID 136972042

IUPAC5-chloro-4-[2-(chloromethyl)morpholin-4-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCOC(CCl)C2)c1Cl
InChIInChI=1S/C9H11Cl2N3O2/c10-3-6-4-14(1-2-16-6)8-7(11)9(15)13-5-12-8/h5-6H,1-4H2,(H,12,13,15)
InChIKeyLTTZOLZVZCKDTK-UHFFFAOYSA-N
MW264.11 g/mol
LogP0.87
Rot. Bonds2

About 5-chloro-4-[2-(chloromethyl)morpholin-4-yl]-1H-pyrimidin-6-one

5-chloro-4-[2-(chloromethyl)morpholin-4-yl]-1H-pyrimidin-6-one (PubChem CID 136972042) has the molecular formula C9H11Cl2N3O2 and a molecular weight of 264.11 g/mol. Its IUPAC name is 5-chloro-4-[2-(chloromethyl)morpholin-4-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-[2-(chloromethyl)morpholin-4-yl]-1H-pyrimidin-6-one
PubChem CID136972042
Molecular FormulaC9H11Cl2N3O2
Molecular Weight264.11 g/mol
Exact Mass263.02
IUPAC Name5-chloro-4-[2-(chloromethyl)morpholin-4-yl]-1H-pyrimidin-6-one
SMILESO=c1[nH]cnc(N2CCOC(CCl)C2)c1Cl
InChIInChI=1S/C9H11Cl2N3O2/c10-3-6-4-14(1-2-16-6)8-7(11)9(15)13-5-12-8/h5-6H,1-4H2,(H,12,13,15)
InChIKeyLTTZOLZVZCKDTK-UHFFFAOYSA-N
XLogP0.87
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.11
LogP ≤ 50.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783258
5-bromo-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783259
4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-5-iodo-1H-pyrimidin-6-one
CID 136783260
4-[2-(bromomethyl)-6-methylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136783261
4-[2-(aminomethyl)-6-methylmorpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136783267
5-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825658
5-chloro-4-(3-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970786
5-chloro-4-(2,5-dimethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970788
5-chloro-4-(5-ethyl-2-methylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970808
5-chloro-4-(3-ethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136970848
5-chloro-4-[2-(2-chloroethoxy)ethylamino]-1H-pyrimidin-6-one
CID 136971862
4-[2-(bromomethyl)morpholin-4-yl]-5-chloro-1H-pyrimidin-6-one
CID 136972039

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[2-(chloromethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-[2-(chloromethyl)morpholin-4-yl]-1H-pyrimidin-6-one (CID 136972042) is 5-chloro-4-[2-(chloromethyl)morpholin-4-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-[2-(chloromethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-[2-(chloromethyl)morpholin-4-yl]-1H-pyrimidin-6-one is O=c1[nH]cnc(N2CCOC(CCl)C2)c1Cl.
What is the InChIKey of 5-chloro-4-[2-(chloromethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
The InChIKey is LTTZOLZVZCKDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O2/c10-3-6-4-14(1-2-16-6)8-7(11)9(15)13-5-12-8/h5-6H,1-4H2,(H,12,13,15).
What are the key properties of 5-chloro-4-[2-(chloromethyl)morpholin-4-yl]-1H-pyrimidin-6-one?
5-chloro-4-[2-(chloromethyl)morpholin-4-yl]-1H-pyrimidin-6-one has a molecular weight of 264.11 g/mol, XLogP of 0.87, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[2-(chloromethyl)morpholin-4-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136972042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).