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

C16H28N4O — CID 136779874

IUPAC4-propan-2-yl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(NC2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C16H28N4O/c1-10(2)12-7-13(21)19-14(18-12)17-11-8-15(3,4)20-16(5,6)9-11/h7,10-11,20H,8-9H2,1-6H3,(H2,17,18,19,21)
InChIKeyODBYXDDIDKXANX-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.61
Rot. Bonds3

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

4-propan-2-yl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (PubChem CID 136779874) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 4-propan-2-yl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-propan-2-yl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
PubChem CID136779874
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name4-propan-2-yl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
SMILESCC(C)c1cc(=O)[nH]c(NC2CC(C)(C)NC(C)(C)C2)n1
InChIInChI=1S/C16H28N4O/c1-10(2)12-7-13(21)19-14(18-12)17-11-8-15(3,4)20-16(5,6)9-11/h7,10-11,20H,8-9H2,1-6H3,(H2,17,18,19,21)
InChIKeyODBYXDDIDKXANX-UHFFFAOYSA-N
XLogP2.61
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The IUPAC name of 4-propan-2-yl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one (CID 136779874) is 4-propan-2-yl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-propan-2-yl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The canonical SMILES for 4-propan-2-yl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is CC(C)c1cc(=O)[nH]c(NC2CC(C)(C)NC(C)(C)C2)n1.
What is the InChIKey of 4-propan-2-yl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
The InChIKey is ODBYXDDIDKXANX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-10(2)12-7-13(21)19-14(18-12)17-11-8-15(3,4)20-16(5,6)9-11/h7,10-11,20H,8-9H2,1-6H3,(H2,17,18,19,21).
What are the key properties of 4-propan-2-yl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one?
4-propan-2-yl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one has a molecular weight of 292.43 g/mol, XLogP of 2.61, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one is sourced from PubChem (CID 136779874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).