(3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol

C12H19N3O — CID 67953166

IUPAC(3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol
SMILESCC(C)(C)C1C[C@@H](O)CN1c1ccncn1
InChIInChI=1S/C12H19N3O/c1-12(2,3)10-6-9(16)7-15(10)11-4-5-13-8-14-11/h4-5,8-10,16H,6-7H2,1-3H3/t9-,10?/m1/s1
InChIKeyFHKQWJQKXCFNTK-YHMJZVADSA-N
MW221.30 g/mol
LogP1.46
Rot. Bonds1

About (3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol

(3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol (PubChem CID 67953166) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is (3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol
PubChem CID67953166
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name(3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol
SMILESCC(C)(C)C1C[C@@H](O)CN1c1ccncn1
InChIInChI=1S/C12H19N3O/c1-12(2,3)10-6-9(16)7-15(10)11-4-5-13-8-14-11/h4-5,8-10,16H,6-7H2,1-3H3/t9-,10?/m1/s1
InChIKeyFHKQWJQKXCFNTK-YHMJZVADSA-N
XLogP1.46
TPSA49.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol?
The IUPAC name of (3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol (CID 67953166) is (3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol.
What is the SMILES notation for (3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol?
The canonical SMILES for (3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol is CC(C)(C)C1C[C@@H](O)CN1c1ccncn1.
What is the InChIKey of (3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol?
The InChIKey is FHKQWJQKXCFNTK-YHMJZVADSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(2,3)10-6-9(16)7-15(10)11-4-5-13-8-14-11/h4-5,8-10,16H,6-7H2,1-3H3/t9-,10?/m1/s1.
What are the key properties of (3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol?
(3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol has a molecular weight of 221.30 g/mol, XLogP of 1.46, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-tert-butyl-1-pyrimidin-4-ylpyrrolidin-3-ol is sourced from PubChem (CID 67953166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).