3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine

C16H18FN3O — CID 110257893

IUPAC3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(Cc2ccc(F)cc2)cc(C2COCCN2)n1
InChIInChI=1S/C16H18FN3O/c1-11-19-14(8-12-2-4-13(17)5-3-12)9-15(20-11)16-10-21-7-6-18-16/h2-5,9,16,18H,6-8,10H2,1H3
InChIKeyGFVQZYMNFJLSDW-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.18
Rot. Bonds3

About 3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine

3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine (PubChem CID 110257893) has the molecular formula C16H18FN3O and a molecular weight of 287.34 g/mol. Its IUPAC name is 3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine
PubChem CID110257893
Molecular FormulaC16H18FN3O
Molecular Weight287.34 g/mol
Exact Mass287.14
IUPAC Name3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine
SMILESCc1nc(Cc2ccc(F)cc2)cc(C2COCCN2)n1
InChIInChI=1S/C16H18FN3O/c1-11-19-14(8-12-2-4-13(17)5-3-12)9-15(20-11)16-10-21-7-6-18-16/h2-5,9,16,18H,6-8,10H2,1H3
InChIKeyGFVQZYMNFJLSDW-UHFFFAOYSA-N
XLogP2.18
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(+/-)-cis-6-((4-(2-(3-Fluorophenethoxy)ethylamino)pyrrolidin-3-yl)methyl)-4-methyl-pyridin-2-amine
CID 44592415
N-benzyl-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 697249
N-benzyl-4-methyl-6-morpholin-4-ylpyrimidin-2-amine
CID 721057
(Oxolan-2-ylmethyl)[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]amine
CID 2985365
4-(difluoromethyl)-6-(4-methylphenyl)-N-(tetrahydrofuran-2-ylmethyl)pyrimidin-2-amine
CID 3244132
18-Methyl-5-[6-(trifluoromethyl)-2-pyridinyl]-11-oxa-2,4,6,8,21-pentazatricyclo[14.3.1.13,7]henicosa-1(19),3,5,7(21),16(20),17-hexaene
CID 162654672
18-Fluoro-5-[6-(trifluoromethyl)-2-pyridinyl]-11-oxa-2,4,6,8,21-pentazatricyclo[14.3.1.13,7]henicosa-1(19),3,5,7(21),16(20),17-hexaene
CID 162664708
18-(Trifluoromethyl)-5-[6-(trifluoromethyl)-2-pyridinyl]-11-oxa-2,4,6,8,21-pentazatricyclo[14.3.1.13,7]henicosa-1(20),3,5,7(21),16,18-hexaene
CID 162665711
(+/-)-6-((4-(2-(3-Fluorophenethoxy)ethylamino)pyrrolidin-3-yl)methyl)-4-methylpyridin-2-amine
CID 44592993
4-methyl-N-(4-morpholin-2-ylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 68325443
4,6-dimethyl-N-[4-[(2R)-morpholin-2-yl]phenyl]pyrimidin-2-amine
CID 68325754
1-[4-(6-Methyl-2-phenylpyrimidin-4-YL)morpholin-2-YL]methanamine
CID 50974664

Frequently Asked Questions

What is the IUPAC name of 3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine?
The IUPAC name of 3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine (CID 110257893) is 3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine?
The canonical SMILES for 3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine is Cc1nc(Cc2ccc(F)cc2)cc(C2COCCN2)n1.
What is the InChIKey of 3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine?
The InChIKey is GFVQZYMNFJLSDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O/c1-11-19-14(8-12-2-4-13(17)5-3-12)9-15(20-11)16-10-21-7-6-18-16/h2-5,9,16,18H,6-8,10H2,1H3.
What are the key properties of 3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine?
3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine has a molecular weight of 287.34 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(4-fluorophenyl)methyl]-2-methylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 110257893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).