5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one

C13H21N5O — CID 80957649

IUPAC5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one
SMILESCC(C)(C)c1nc(N)cc(NC2CCC(=O)NC2)n1
InChIInChI=1S/C13H21N5O/c1-13(2,3)12-17-9(14)6-10(18-12)16-8-4-5-11(19)15-7-8/h6,8H,4-5,7H2,1-3H3,(H,15,19)(H3,14,16,17,18)
InChIKeyLKHAXBSFYOYOQO-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.05
Rot. Bonds2

About 5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one

5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one (PubChem CID 80957649) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one.

Molecular Properties

Compound Name5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one
PubChem CID80957649
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one
SMILESCC(C)(C)c1nc(N)cc(NC2CCC(=O)NC2)n1
InChIInChI=1S/C13H21N5O/c1-13(2,3)12-17-9(14)6-10(18-12)16-8-4-5-11(19)15-7-8/h6,8H,4-5,7H2,1-3H3,(H,15,19)(H3,14,16,17,18)
InChIKeyLKHAXBSFYOYOQO-UHFFFAOYSA-N
XLogP1.05
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one?
The IUPAC name of 5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one (CID 80957649) is 5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one.
What is the SMILES notation for 5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one?
The canonical SMILES for 5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one is CC(C)(C)c1nc(N)cc(NC2CCC(=O)NC2)n1.
What is the InChIKey of 5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one?
The InChIKey is LKHAXBSFYOYOQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c1-13(2,3)12-17-9(14)6-10(18-12)16-8-4-5-11(19)15-7-8/h6,8H,4-5,7H2,1-3H3,(H,15,19)(H3,14,16,17,18).
What are the key properties of 5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one?
5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one has a molecular weight of 263.34 g/mol, XLogP of 1.05, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6-amino-2-tert-butylpyrimidin-4-yl)amino]piperidin-2-one is sourced from PubChem (CID 80957649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).