4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine

C18H22ClFN6O — CID 165433176

IUPAC4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(N2CCN(c3ncc(Cl)cc3F)CC2)n1
InChIInChI=1S/C18H22ClFN6O/c1-13-22-16(11-17(23-13)25-6-8-27-9-7-25)24-2-4-26(5-3-24)18-15(20)10-14(19)12-21-18/h10-12H,2-9H2,1H3
InChIKeyNWCBFSKBFBYEKK-UHFFFAOYSA-N
MW392.87 g/mol
LogP2.14
Rot. Bonds3

About 4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine

4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine (PubChem CID 165433176) has the molecular formula C18H22ClFN6O and a molecular weight of 392.87 g/mol. Its IUPAC name is 4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
PubChem CID165433176
Molecular FormulaC18H22ClFN6O
Molecular Weight392.87 g/mol
Exact Mass392.15
IUPAC Name4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(N2CCOCC2)cc(N2CCN(c3ncc(Cl)cc3F)CC2)n1
InChIInChI=1S/C18H22ClFN6O/c1-13-22-16(11-17(23-13)25-6-8-27-9-7-25)24-2-4-26(5-3-24)18-15(20)10-14(19)12-21-18/h10-12H,2-9H2,1H3
InChIKeyNWCBFSKBFBYEKK-UHFFFAOYSA-N
XLogP2.14
TPSA57.62 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.87
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

4-[6-[4-(2,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine
CID 146078312
4-[6-(azepan-1-yl)-2-methylpyrimidin-4-yl]morpholine
CID 112869889
4-[2-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 146074332
4-[2-[4-[3-fluoro-5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 155981444
(4-chlorophenyl)-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 46267909
4-(5-chloro-3-fluoro-2-pyridinyl)-3-methylmorpholine
CID 79727473
5-fluoro-6-morpholin-4-ylpyridin-3-amine
CID 58575873
5-chloro-2-morpholin-4-ylpyridin-3-amine
CID 80503744
4-[2-[4-(5-chloro-2-pyridinyl)piperazin-1-yl]-6-methylpyrimidin-4-yl]morpholine
CID 166601129
3-(3-chloro-4-fluorophenyl)-1-[4-(2-methyl-6-morpholin-4-ylpyrimidin-4-yl)piperazin-1-yl]propan-1-one
CID 122340900
5-chloro-3-fluoro-2-(4-propan-2-ylpiperidin-1-yl)pyridine
CID 58431434
4-[8-(4-chloro-2-fluorophenyl)-3-methylpyrido[2,3-b]pyrazin-6-yl]morpholine
CID 157044800

Frequently Asked Questions

What is the IUPAC name of 4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine (CID 165433176) is 4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine is Cc1nc(N2CCOCC2)cc(N2CCN(c3ncc(Cl)cc3F)CC2)n1.
What is the InChIKey of 4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine?
The InChIKey is NWCBFSKBFBYEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClFN6O/c1-13-22-16(11-17(23-13)25-6-8-27-9-7-25)24-2-4-26(5-3-24)18-15(20)10-14(19)12-21-18/h10-12H,2-9H2,1H3.
What are the key properties of 4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine?
4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine has a molecular weight of 392.87 g/mol, XLogP of 2.14, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[4-(5-chloro-3-fluoro-2-pyridinyl)piperazin-1-yl]-2-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 165433176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).