(1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol

C18H23FN4O2 — CID 95147671

IUPAC(1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol
SMILESCN(CC[C@@H](O)c1ccccc1)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C18H23FN4O2/c1-22(8-7-16(24)14-5-3-2-4-6-14)18-20-13-15(19)17(21-18)23-9-11-25-12-10-23/h2-6,13,16,24H,7-12H2,1H3/t16-/m1/s1
InChIKeyYKXCQQLFIMKHHI-MRXNPFEDSA-N
MW346.41 g/mol
LogP2.01
Rot. Bonds6

About (1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol

(1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol (PubChem CID 95147671) has the molecular formula C18H23FN4O2 and a molecular weight of 346.41 g/mol. Its IUPAC name is (1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol.

Molecular Properties

Compound Name(1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol
PubChem CID95147671
Molecular FormulaC18H23FN4O2
Molecular Weight346.41 g/mol
Exact Mass346.18
IUPAC Name(1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol
SMILESCN(CC[C@@H](O)c1ccccc1)c1ncc(F)c(N2CCOCC2)n1
InChIInChI=1S/C18H23FN4O2/c1-22(8-7-16(24)14-5-3-2-4-6-14)18-20-13-15(19)17(21-18)23-9-11-25-12-10-23/h2-6,13,16,24H,7-12H2,1H3/t16-/m1/s1
InChIKeyYKXCQQLFIMKHHI-MRXNPFEDSA-N
XLogP2.01
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol with MolForge

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Related Compounds

3-[methyl-(4-pyridin-3-ylpyrimidin-2-yl)amino]-1-phenylpropan-1-ol
CID 72845904
3-[methyl(oxan-4-yl)amino]-1-phenylpropan-1-ol
CID 62613095
N-benzyl-2-chloro-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-6-amine
CID 88763602
(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-(iodoamino)methanol
CID 134254858
N-benzyl-N-methyl-4-morpholin-4-ylpyrimido[5,4-d]pyrimidin-2-amine
CID 54561117
(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-propylpyrrolidine-3-carboxylic acid
CID 164640878
3-[(2-amino-5-ethylpyrimidin-4-yl)-methylamino]-1-phenylpropan-1-ol
CID 72937417
1-(2-chloro-2-phenylethyl)-N,N-dimethyl-4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-6-amine
CID 25185973
[(3R,4R)-1-(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-4-[[2-methoxyethyl(methyl)amino]methyl]pyrrolidin-3-yl]methanol
CID 70768224
4-(5-fluoro-2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 3631524
4-[5-fluoro-2-[4-[(1R)-1-pyrrolidin-1-ylethyl]phenyl]pyrimidin-4-yl]morpholine
CID 126433720
1-[[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)diazenyl]methyl]naphthalen-2-ol
CID 91265121

Frequently Asked Questions

What is the IUPAC name of (1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol?
The IUPAC name of (1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol (CID 95147671) is (1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol.
What is the SMILES notation for (1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol?
The canonical SMILES for (1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol is CN(CC[C@@H](O)c1ccccc1)c1ncc(F)c(N2CCOCC2)n1.
What is the InChIKey of (1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol?
The InChIKey is YKXCQQLFIMKHHI-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H23FN4O2/c1-22(8-7-16(24)14-5-3-2-4-6-14)18-20-13-15(19)17(21-18)23-9-11-25-12-10-23/h2-6,13,16,24H,7-12H2,1H3/t16-/m1/s1.
What are the key properties of (1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol?
(1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol has a molecular weight of 346.41 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-3-[(5-fluoro-4-morpholin-4-ylpyrimidin-2-yl)-methylamino]-1-phenylpropan-1-ol is sourced from PubChem (CID 95147671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).