6-tert-butyl-4-(3,3,4-trimethylpiperazine-1-carbonyl)-1H-pyrimidin-2-one

C16H26N4O2 — CID 91769241

IUPAC6-tert-butyl-4-(3,3,4-trimethylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCN1CCN(C(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)CC1(C)C
InChIInChI=1S/C16H26N4O2/c1-15(2,3)12-9-11(17-14(22)18-12)13(21)20-8-7-19(6)16(4,5)10-20/h9H,7-8,10H2,1-6H3,(H,17,18,22)
InChIKeyRIBOTYIHVPWBQL-UHFFFAOYSA-N
MW306.41 g/mol
LogP1.23
Rot. Bonds1

About 6-tert-butyl-4-(3,3,4-trimethylpiperazine-1-carbonyl)-1H-pyrimidin-2-one

6-tert-butyl-4-(3,3,4-trimethylpiperazine-1-carbonyl)-1H-pyrimidin-2-one (PubChem CID 91769241) has the molecular formula C16H26N4O2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 6-tert-butyl-4-(3,3,4-trimethylpiperazine-1-carbonyl)-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-tert-butyl-4-(3,3,4-trimethylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
PubChem CID91769241
Molecular FormulaC16H26N4O2
Molecular Weight306.41 g/mol
Exact Mass306.21
IUPAC Name6-tert-butyl-4-(3,3,4-trimethylpiperazine-1-carbonyl)-1H-pyrimidin-2-one
SMILESCN1CCN(C(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)CC1(C)C
InChIInChI=1S/C16H26N4O2/c1-15(2,3)12-9-11(17-14(22)18-12)13(21)20-8-7-19(6)16(4,5)10-20/h9H,7-8,10H2,1-6H3,(H,17,18,22)
InChIKeyRIBOTYIHVPWBQL-UHFFFAOYSA-N
XLogP1.23
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4-(3,3,4-trimethylpiperazine-1-carbonyl)-1H-pyrimidin-2-one?
The IUPAC name of 6-tert-butyl-4-(3,3,4-trimethylpiperazine-1-carbonyl)-1H-pyrimidin-2-one (CID 91769241) is 6-tert-butyl-4-(3,3,4-trimethylpiperazine-1-carbonyl)-1H-pyrimidin-2-one.
What is the SMILES notation for 6-tert-butyl-4-(3,3,4-trimethylpiperazine-1-carbonyl)-1H-pyrimidin-2-one?
The canonical SMILES for 6-tert-butyl-4-(3,3,4-trimethylpiperazine-1-carbonyl)-1H-pyrimidin-2-one is CN1CCN(C(=O)c2cc(C(C)(C)C)[nH]c(=O)n2)CC1(C)C.
What is the InChIKey of 6-tert-butyl-4-(3,3,4-trimethylpiperazine-1-carbonyl)-1H-pyrimidin-2-one?
The InChIKey is RIBOTYIHVPWBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O2/c1-15(2,3)12-9-11(17-14(22)18-12)13(21)20-8-7-19(6)16(4,5)10-20/h9H,7-8,10H2,1-6H3,(H,17,18,22).
What are the key properties of 6-tert-butyl-4-(3,3,4-trimethylpiperazine-1-carbonyl)-1H-pyrimidin-2-one?
6-tert-butyl-4-(3,3,4-trimethylpiperazine-1-carbonyl)-1H-pyrimidin-2-one has a molecular weight of 306.41 g/mol, XLogP of 1.23, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4-(3,3,4-trimethylpiperazine-1-carbonyl)-1H-pyrimidin-2-one is sourced from PubChem (CID 91769241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).