4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine

C9H11Cl2N3O — CID 134511412

IUPAC4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
SMILESCc1nc(Cl)c(Cl)c(N2CCOCC2)n1
InChIInChI=1S/C9H11Cl2N3O/c1-6-12-8(11)7(10)9(13-6)14-2-4-15-5-3-14/h2-5H2,1H3
InChIKeyRYOGNPVVHXQUOB-UHFFFAOYSA-N
MW248.11 g/mol
LogP1.93
Rot. Bonds1

About 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine

4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine (PubChem CID 134511412) has the molecular formula C9H11Cl2N3O and a molecular weight of 248.11 g/mol. Its IUPAC name is 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine.

Molecular Properties

Compound Name4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
PubChem CID134511412
Molecular FormulaC9H11Cl2N3O
Molecular Weight248.11 g/mol
Exact Mass247.03
IUPAC Name4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine
SMILESCc1nc(Cl)c(Cl)c(N2CCOCC2)n1
InChIInChI=1S/C9H11Cl2N3O/c1-6-12-8(11)7(10)9(13-6)14-2-4-15-5-3-14/h2-5H2,1H3
InChIKeyRYOGNPVVHXQUOB-UHFFFAOYSA-N
XLogP1.93
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.11
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(4-chloro-2-methyl-6-morpholin-4-ylpyrimidin-5-yl)oxyacetate
CID 126635968
4-(7-chloro-8-fluoro-2-methylpyrido[4,3-d]pyrimidin-4-yl)-1,4-oxazepane
CID 166139873
4-(4,6-dimethyl-1,3,5-triazin-2-yl)morpholine;ethane
CID 159951324
4-[1-(2-chlorophenyl)-6-methylpyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 42670657
CID 166164666
CID 166164666
4-chloro-2,5-dimethyl-6-(4-phenylpiperazin-1-yl)pyrimidine
CID 63735915
2,5-dimethyl-6-morpholin-4-yl-N-propylpyrimidin-4-amine
CID 80767316
tert-butyl-[1-(5,6-dichloro-2-methylpyrimidin-4-yl)azetidin-3-yl]oxy-dimethylsilane
CID 166128654
4-(2-fluorophenyl)-2-methyl-6-morpholin-4-ylpyrimidin-5-amine
CID 83286313
5-methyl-4,6-dimorpholin-4-ylpyrimidin-2-amine;dihydrochloride
CID 121396239
4-(2,7-dimethylpyrrolo[2,1-f][1,2,4]triazin-4-yl)morpholine
CID 145420374
2-methyl-4-morpholin-4-yl-5,6,7,9,10,11-hexahydropyrimido[4,5-e][1,4]oxazonine
CID 144820201

Frequently Asked Questions

What is the IUPAC name of 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine?
The IUPAC name of 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine (CID 134511412) is 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine.
What is the SMILES notation for 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine?
The canonical SMILES for 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine is Cc1nc(Cl)c(Cl)c(N2CCOCC2)n1.
What is the InChIKey of 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine?
The InChIKey is RYOGNPVVHXQUOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O/c1-6-12-8(11)7(10)9(13-6)14-2-4-15-5-3-14/h2-5H2,1H3.
What are the key properties of 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine?
4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine has a molecular weight of 248.11 g/mol, XLogP of 1.93, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6-dichloro-2-methylpyrimidin-4-yl)morpholine is sourced from PubChem (CID 134511412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).