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

C18H24N4O2 — CID 111334317

IUPAC1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol
SMILESCC(O)(CNCc1cnc(N2CCOCC2)nc1)c1ccccc1
InChIInChI=1S/C18H24N4O2/c1-18(23,16-5-3-2-4-6-16)14-19-11-15-12-20-17(21-13-15)22-7-9-24-10-8-22/h2-6,12-13,19,23H,7-11,14H2,1H3
InChIKeyUIXYWNFGNOCWKT-UHFFFAOYSA-N
MW328.42 g/mol
LogP1.31
Rot. Bonds6

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

1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol (PubChem CID 111334317) has the molecular formula C18H24N4O2 and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol.

Molecular Properties

Compound Name1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol
PubChem CID111334317
Molecular FormulaC18H24N4O2
Molecular Weight328.42 g/mol
Exact Mass328.19
IUPAC Name1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol
SMILESCC(O)(CNCc1cnc(N2CCOCC2)nc1)c1ccccc1
InChIInChI=1S/C18H24N4O2/c1-18(23,16-5-3-2-4-6-16)14-19-11-15-12-20-17(21-13-15)22-7-9-24-10-8-22/h2-6,12-13,19,23H,7-11,14H2,1H3
InChIKeyUIXYWNFGNOCWKT-UHFFFAOYSA-N
XLogP1.31
TPSA70.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Bmy-14802
CID 108046
Fenyripol Hydrochloride
CID 17118
3-(3-Methoxyquinuclidin-3-yl)-1-phenyl-1-(pyrimidin-5-yl)prop-2-yn-1-ol
CID 44406690
(R)-1-(4-Fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol
CID 6604868
1,1-Bis-(4-fluoro-phenyl)-4-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-butan-1-ol
CID 10321125
2-[[2-[3-(2-Morpholin-4-ylethyl)anilino]pyrimidin-4-yl]amino]-1-phenylethanol
CID 44530119
[2-fluoro-3-(2-morpholin-4-ylpyrimidin-5-yl)phenyl]methyl N-(diaminomethylidene)carbamate;hydrochloride
CID 89600723
Fenyripol
CID 17119
2-(4-Fluoro-phenyl)-5-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-pentan-2-ol
CID 10021536
1-(4-Fluoro-phenyl)-3-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-propan-1-ol
CID 10404634
3-(4-Fluoro-phenyl)-6-[4-(5-fluoro-pyrimidin-2-yl)-piperazin-1-yl]-hexan-3-ol
CID 10407185
3-(4-Fluoro-phenyl)-6-(4-pyrimidin-2-yl-piperazin-1-yl)-hexan-3-ol
CID 10428490

Frequently Asked Questions

What is the IUPAC name of 1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol?
The IUPAC name of 1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol (CID 111334317) is 1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol.
What is the SMILES notation for 1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol?
The canonical SMILES for 1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol is CC(O)(CNCc1cnc(N2CCOCC2)nc1)c1ccccc1.
What is the InChIKey of 1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol?
The InChIKey is UIXYWNFGNOCWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O2/c1-18(23,16-5-3-2-4-6-16)14-19-11-15-12-20-17(21-13-15)22-7-9-24-10-8-22/h2-6,12-13,19,23H,7-11,14H2,1H3.
What are the key properties of 1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol?
1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol has a molecular weight of 328.42 g/mol, XLogP of 1.31, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-morpholin-4-ylpyrimidin-5-yl)methylamino]-2-phenylpropan-2-ol is sourced from PubChem (CID 111334317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).