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

C13H22N4O — CID 69061305

IUPAC2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(C)CC(Nc2nccc(=O)[nH]2)CC(C)(C)N1
InChIInChI=1S/C13H22N4O/c1-12(2)7-9(8-13(3,4)17-12)15-11-14-6-5-10(18)16-11/h5-6,9,17H,7-8H2,1-4H3,(H2,14,15,16,18)
InChIKeyVXYWKIHWPDGVSR-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.49
Rot. Bonds2

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

2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 69061305) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID69061305
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC1(C)CC(Nc2nccc(=O)[nH]2)CC(C)(C)N1
InChIInChI=1S/C13H22N4O/c1-12(2)7-9(8-13(3,4)17-12)15-11-14-6-5-10(18)16-11/h5-6,9,17H,7-8H2,1-4H3,(H2,14,15,16,18)
InChIKeyVXYWKIHWPDGVSR-UHFFFAOYSA-N
XLogP1.49
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 69061305) is 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is CC1(C)CC(Nc2nccc(=O)[nH]2)CC(C)(C)N1.
What is the InChIKey of 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is VXYWKIHWPDGVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-12(2)7-9(8-13(3,4)17-12)15-11-14-6-5-10(18)16-11/h5-6,9,17H,7-8H2,1-4H3,(H2,14,15,16,18).
What are the key properties of 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 250.35 g/mol, XLogP of 1.49, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 69061305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).