(3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol

C16H26N4O2 — CID 67953165

IUPAC(3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCC(C)(C)C1C[C@@H](O)CN1c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)13-10-12(21)11-20(13)14-4-5-17-15(18-14)19-6-8-22-9-7-19/h4-5,12-13,21H,6-11H2,1-3H3/t12-,13?/m1/s1
InChIKeySVFXBSIMALKPJI-PZORYLMUSA-N
MW306.41 g/mol
LogP1.30
Rot. Bonds2

About (3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol

(3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol (PubChem CID 67953165) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is (3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
PubChem CID67953165
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name(3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
SMILESCC(C)(C)C1C[C@@H](O)CN1c1ccnc(N2CCOCC2)n1
InChIInChI=1S/C16H26N4O2/c1-16(2,3)13-10-12(21)11-20(13)14-4-5-17-15(18-14)19-6-8-22-9-7-19/h4-5,12-13,21H,6-11H2,1-3H3/t12-,13?/m1/s1
InChIKeySVFXBSIMALKPJI-PZORYLMUSA-N
XLogP1.30
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R,5R)-5-(4-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 129350803
(3R,5R)-5-(3-fluorophenyl)-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 129350743
4-(2-piperidin-1-ylpyrimidin-4-yl)morpholine
CID 112884623
4-[4-(4-phenylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 112886572
4-[2-[(1R,5R)-1-(trifluoromethyl)-3-azabicyclo[3.2.0]heptan-3-yl]pyrimidin-4-yl]morpholine
CID 139021571
4-[4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]morpholine
CID 112886644
4-ethyl-1-(2-morpholin-4-ylpyrimidin-4-yl)piperidin-4-ol
CID 136530757
4-[4-(3,4-dihydro-1H-isoquinolin-2-yl)pyrimidin-2-yl]morpholine
CID 112886562
4-[4-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 122344638
4-[4-(4-butylsulfonylpiperazin-1-yl)pyrimidin-2-yl]morpholine
CID 70703503
4-[2-[4-[2-(trifluoromethyl)-4-pyridinyl]piperazin-1-yl]pyrimidin-4-yl]morpholine
CID 155800202
2-(2-morpholin-4-ylpyrimidin-4-yl)propanoic acid
CID 83897522

Frequently Asked Questions

What is the IUPAC name of (3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The IUPAC name of (3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol (CID 67953165) is (3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol.
What is the SMILES notation for (3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The canonical SMILES for (3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol is CC(C)(C)C1C[C@@H](O)CN1c1ccnc(N2CCOCC2)n1.
What is the InChIKey of (3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol?
The InChIKey is SVFXBSIMALKPJI-PZORYLMUSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-16(2,3)13-10-12(21)11-20(13)14-4-5-17-15(18-14)19-6-8-22-9-7-19/h4-5,12-13,21H,6-11H2,1-3H3/t12-,13?/m1/s1.
What are the key properties of (3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol?
(3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol has a molecular weight of 306.41 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-tert-butyl-1-(2-morpholin-4-ylpyrimidin-4-yl)pyrrolidin-3-ol is sourced from PubChem (CID 67953165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).