(3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide

C13H20N4O2 — CID 111431545

IUPAC(3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide
SMILESCC(C)(C)c1ncc(NC(=O)N2CC[C@H](O)C2)cn1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)11-14-6-9(7-15-11)16-12(19)17-5-4-10(18)8-17/h6-7,10,18H,4-5,8H2,1-3H3,(H,16,19)/t10-/m0/s1
InChIKeyCUINSJGTJCDGII-JTQLQIEISA-N
MW264.33 g/mol
LogP1.37
Rot. Bonds1

About (3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide

(3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide (PubChem CID 111431545) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is (3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide
PubChem CID111431545
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name(3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide
SMILESCC(C)(C)c1ncc(NC(=O)N2CC[C@H](O)C2)cn1
InChIInChI=1S/C13H20N4O2/c1-13(2,3)11-14-6-9(7-15-11)16-12(19)17-5-4-10(18)8-17/h6-7,10,18H,4-5,8H2,1-3H3,(H,16,19)/t10-/m0/s1
InChIKeyCUINSJGTJCDGII-JTQLQIEISA-N
XLogP1.37
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide?
The IUPAC name of (3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide (CID 111431545) is (3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide is CC(C)(C)c1ncc(NC(=O)N2CC[C@H](O)C2)cn1.
What is the InChIKey of (3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide?
The InChIKey is CUINSJGTJCDGII-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N4O2/c1-13(2,3)11-14-6-9(7-15-11)16-12(19)17-5-4-10(18)8-17/h6-7,10,18H,4-5,8H2,1-3H3,(H,16,19)/t10-/m0/s1.
What are the key properties of (3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide?
(3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide has a molecular weight of 264.33 g/mol, XLogP of 1.37, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(2-tert-butylpyrimidin-5-yl)-3-hydroxypyrrolidine-1-carboxamide is sourced from PubChem (CID 111431545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).