4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine

C19H23FN4O2 — CID 131640087

IUPAC4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine
SMILESFc1ccccc1CN1CCOCC1c1nccc(N2CCOCC2)n1
InChIInChI=1S/C19H23FN4O2/c20-16-4-2-1-3-15(16)13-24-9-12-26-14-17(24)19-21-6-5-18(22-19)23-7-10-25-11-8-23/h1-6,17H,7-14H2
InChIKeyYVARSGDVHJJIBI-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.03
Rot. Bonds4

About 4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine

4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine (PubChem CID 131640087) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine
PubChem CID131640087
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine
SMILESFc1ccccc1CN1CCOCC1c1nccc(N2CCOCC2)n1
InChIInChI=1S/C19H23FN4O2/c20-16-4-2-1-3-15(16)13-24-9-12-26-14-17(24)19-21-6-5-18(22-19)23-7-10-25-11-8-23/h1-6,17H,7-14H2
InChIKeyYVARSGDVHJJIBI-UHFFFAOYSA-N
XLogP2.03
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(3S)-3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine
CID 97486436
2-[4-[(2-fluorophenyl)methyl]morpholin-3-yl]-N-propan-2-ylpyrimidin-4-amine;bis(2,2,2-trifluoroacetic acid)
CID 155844716
(3R)-4-[(3-fluorophenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
CID 97486112
3-(4-morpholin-4-ylpyrimidin-2-yl)-4-(thiophen-3-ylmethyl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155827817
(3S)-4-[(1-methylpyrazol-4-yl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine
CID 97484662
(3R)-4-[(2-fluorophenyl)methyl]morpholine-3-carbonitrile
CID 129371054
2-pyridin-2-yl-1-[(3S)-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholin-4-yl]ethanone
CID 97485841
(3R)-4-[(2-fluorophenyl)methyl]-3-(5-pyridin-3-yl-1H-imidazol-2-yl)morpholine
CID 71694185
[4-[(2-fluorophenyl)methyl]morpholin-3-yl]methanamine
CID 83095958
4-[(3-methoxyphenyl)methyl]-3-(4-pyrrolidin-1-ylpyrimidin-2-yl)morpholine;bis(2,2,2-trifluoroacetic acid)
CID 155826620
1-[3-(4-morpholin-4-ylpyrimidin-2-yl)morpholin-4-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155842670
4-[5-[5-[1-[(2-fluorophenyl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl]morpholine
CID 75131201

Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine (CID 131640087) is 4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine is Fc1ccccc1CN1CCOCC1c1nccc(N2CCOCC2)n1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine?
The InChIKey is YVARSGDVHJJIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c20-16-4-2-1-3-15(16)13-24-9-12-26-14-17(24)19-21-6-5-18(22-19)23-7-10-25-11-8-23/h1-6,17H,7-14H2.
What are the key properties of 4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine?
4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine has a molecular weight of 358.42 g/mol, XLogP of 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-3-(4-morpholin-4-ylpyrimidin-2-yl)morpholine is sourced from PubChem (CID 131640087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).