4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine

C16H27N3O — CID 58849832

IUPAC4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine
SMILESCC(C)(C)C1CC(Oc2ccncn2)CN1C(C)(C)C
InChIInChI=1S/C16H27N3O/c1-15(2,3)13-9-12(10-19(13)16(4,5)6)20-14-7-8-17-11-18-14/h7-8,11-13H,9-10H2,1-6H3
InChIKeyHAHVXHINMWOZED-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.14
Rot. Bonds2

About 4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine

4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine (PubChem CID 58849832) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine.

Molecular Properties

Compound Name4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine
PubChem CID58849832
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine
SMILESCC(C)(C)C1CC(Oc2ccncn2)CN1C(C)(C)C
InChIInChI=1S/C16H27N3O/c1-15(2,3)13-9-12(10-19(13)16(4,5)6)20-14-7-8-17-11-18-14/h7-8,11-13H,9-10H2,1-6H3
InChIKeyHAHVXHINMWOZED-UHFFFAOYSA-N
XLogP3.14
TPSA38.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine?
The IUPAC name of 4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine (CID 58849832) is 4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine.
What is the SMILES notation for 4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine?
The canonical SMILES for 4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine is CC(C)(C)C1CC(Oc2ccncn2)CN1C(C)(C)C.
What is the InChIKey of 4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine?
The InChIKey is HAHVXHINMWOZED-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-15(2,3)13-9-12(10-19(13)16(4,5)6)20-14-7-8-17-11-18-14/h7-8,11-13H,9-10H2,1-6H3.
What are the key properties of 4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine?
4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine has a molecular weight of 277.41 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,5-ditert-butylpyrrolidin-3-yl)oxypyrimidine is sourced from PubChem (CID 58849832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).