5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

C13H23N5O — CID 135568323

IUPAC5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(C)CC(Nc2nc[nH]c(=O)c2N)CC(C)(C)N1
InChIInChI=1S/C13H23N5O/c1-12(2)5-8(6-13(3,4)18-12)17-10-9(14)11(19)16-7-15-10/h7-8,18H,5-6,14H2,1-4H3,(H2,15,16,17,19)
InChIKeyFYKDQNUDPKUBAV-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.07
Rot. Bonds2

About 5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one

5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 135568323) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID135568323
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(C)CC(Nc2nc[nH]c(=O)c2N)CC(C)(C)N1
InChIInChI=1S/C13H23N5O/c1-12(2)5-8(6-13(3,4)18-12)17-10-9(14)11(19)16-7-15-10/h7-8,18H,5-6,14H2,1-4H3,(H2,15,16,17,19)
InChIKeyFYKDQNUDPKUBAV-UHFFFAOYSA-N
XLogP1.07
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 135568323) is 5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is CC1(C)CC(Nc2nc[nH]c(=O)c2N)CC(C)(C)N1.
What is the InChIKey of 5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is FYKDQNUDPKUBAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-12(2)5-8(6-13(3,4)18-12)17-10-9(14)11(19)16-7-15-10/h7-8,18H,5-6,14H2,1-4H3,(H2,15,16,17,19).
What are the key properties of 5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 265.36 g/mol, XLogP of 1.07, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 135568323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).