5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one

C12H18ClN3O2 — CID 136792834

IUPAC5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1(C)CN(c2nc[nH]c(=O)c2Cl)CC(C)(C)O1
InChIInChI=1S/C12H18ClN3O2/c1-11(2)5-16(6-12(3,4)18-11)9-8(13)10(17)15-7-14-9/h7H,5-6H2,1-4H3,(H,14,15,17)
InChIKeyYHANMIHMXPCCGR-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.82
Rot. Bonds1

About 5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one

5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one (PubChem CID 136792834) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
PubChem CID136792834
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
SMILESCC1(C)CN(c2nc[nH]c(=O)c2Cl)CC(C)(C)O1
InChIInChI=1S/C12H18ClN3O2/c1-11(2)5-16(6-12(3,4)18-11)9-8(13)10(17)15-7-14-9/h7H,5-6H2,1-4H3,(H,14,15,17)
InChIKeyYHANMIHMXPCCGR-UHFFFAOYSA-N
XLogP1.82
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716211
5-chloro-4-[2-(chloromethyl)-6-methylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136783258
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-bromo-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136792833
5-amino-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822013
5-methoxy-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822015
4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one
CID 136822016
5-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-1H-pyrimidin-6-one
CID 136825658
5-chloro-4-[(2-ethoxy-2-methylpropyl)amino]-1H-pyrimidin-6-one
CID 136954500
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one (CID 136792834) is 5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one is CC1(C)CN(c2nc[nH]c(=O)c2Cl)CC(C)(C)O1.
What is the InChIKey of 5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
The InChIKey is YHANMIHMXPCCGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-11(2)5-16(6-12(3,4)18-11)9-8(13)10(17)15-7-14-9/h7H,5-6H2,1-4H3,(H,14,15,17).
What are the key properties of 5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one?
5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one has a molecular weight of 271.75 g/mol, XLogP of 1.82, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(2,2,6,6-tetramethylmorpholin-4-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136792834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).