(3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine

C14H14ClFN4O — CID 86691143

IUPAC(3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1cc(-c2cncc(F)c2)nc(Cl)n1
InChIInChI=1S/C14H14ClFN4O/c1-9-8-21-3-2-20(9)13-5-12(18-14(15)19-13)10-4-11(16)7-17-6-10/h4-7,9H,2-3,8H2,1H3/t9-/m0/s1
InChIKeyYWGVMADHWUOFBJ-VIFPVBQESA-N
MW308.74 g/mol
LogP2.56
Rot. Bonds2

About (3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine

(3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 86691143) has the molecular formula C14H14ClFN4O and a molecular weight of 308.74 g/mol. Its IUPAC name is (3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine
PubChem CID86691143
Molecular FormulaC14H14ClFN4O
Molecular Weight308.74 g/mol
Exact Mass308.08
IUPAC Name(3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine
SMILESC[C@H]1COCCN1c1cc(-c2cncc(F)c2)nc(Cl)n1
InChIInChI=1S/C14H14ClFN4O/c1-9-8-21-3-2-20(9)13-5-12(18-14(15)19-13)10-4-11(16)7-17-6-10/h4-7,9H,2-3,8H2,1H3/t9-/m0/s1
InChIKeyYWGVMADHWUOFBJ-VIFPVBQESA-N
XLogP2.56
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.74
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-chloro-6-methylpyrimidin-4-yl)-3-methylmorpholine
CID 62483626
4-(6-chloropyrazin-2-yl)-3-methylmorpholine
CID 61360365
4-[2-chloro-6-(1,4-dimethylpyrazol-5-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 139406180
N-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]methanimine
CID 146533977
2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidine-4-carboxamide
CID 166756249
1-[2-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-yl]-N-methylmethanimine
CID 139406092
(3R)-4-[2-chloro-6-(isocyanomethyl)pyrimidin-4-yl]-3-methylmorpholine
CID 169304968
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
4-[2-chloro-6-[[(S)-methylsulfinyl]methyl]pyrimidin-4-yl]-3-methylmorpholine
CID 88545272
4-[4-(4-fluorophenyl)-6-(2-methylpiperazin-1-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 66838893
(3S)-4-[6-(tert-butylsulfinylmethyl)-2-chloropyrimidin-4-yl]-3-methylmorpholine
CID 88855465
4-(4-chloro-6-methyl-2-pyridinyl)-3-methylmorpholine
CID 166928502

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine (CID 86691143) is (3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine is C[C@H]1COCCN1c1cc(-c2cncc(F)c2)nc(Cl)n1.
What is the InChIKey of (3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is YWGVMADHWUOFBJ-VIFPVBQESA-N. The full InChI is InChI=1S/C14H14ClFN4O/c1-9-8-21-3-2-20(9)13-5-12(18-14(15)19-13)10-4-11(16)7-17-6-10/h4-7,9H,2-3,8H2,1H3/t9-/m0/s1.
What are the key properties of (3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine?
(3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 308.74 g/mol, XLogP of 2.56, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[2-chloro-6-(5-fluoro-3-pyridinyl)pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 86691143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).