4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione

C13H17N5O3 — CID 66076434

IUPAC4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC(C)c1ncc(N)c(C(=O)N2CC(=O)NC(=O)C2C)n1
InChIInChI=1S/C13H17N5O3/c1-6(2)11-15-4-8(14)10(17-11)13(21)18-5-9(19)16-12(20)7(18)3/h4,6-7H,5,14H2,1-3H3,(H,16,19,20)
InChIKeyYPGYULGTUALIGG-UHFFFAOYSA-N
MW291.31 g/mol
LogP-0.33
Rot. Bonds2

About 4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione

4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione (PubChem CID 66076434) has the molecular formula C13H17N5O3 and a molecular weight of 291.31 g/mol. Its IUPAC name is 4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione.

Molecular Properties

Compound Name4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione
PubChem CID66076434
Molecular FormulaC13H17N5O3
Molecular Weight291.31 g/mol
Exact Mass291.13
IUPAC Name4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione
SMILESCC(C)c1ncc(N)c(C(=O)N2CC(=O)NC(=O)C2C)n1
InChIInChI=1S/C13H17N5O3/c1-6(2)11-15-4-8(14)10(17-11)13(21)18-5-9(19)16-12(20)7(18)3/h4,6-7H,5,14H2,1-3H3,(H,16,19,20)
InChIKeyYPGYULGTUALIGG-UHFFFAOYSA-N
XLogP-0.33
TPSA118.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-5-propan-2-yl-1H-pyrazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062261
4-(3-aminothiophene-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66063821
4-(4-amino-1,2,5-oxadiazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66061604
3-methyl-4-(pyrazine-2-carbonyl)piperazine-2,6-dione
CID 66060995
3-methyl-4-(pyrimidine-5-carbonyl)piperazine-2,6-dione
CID 102922193
(5-amino-2-propan-2-ylpyrimidin-4-yl)-thiomorpholin-4-ylmethanone
CID 62155760
(5-amino-2-propan-2-ylpyrimidin-4-yl)-(8-oxa-3-azabicyclo[3.2.1]octan-3-yl)methanone
CID 66370325
4-(2-amino-6-chloropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 66074118
4-(5-amino-1H-indazole-3-carbonyl)-3-methylpiperazine-2,6-dione
CID 66062066
4-(5-bromopyridine-2-carbonyl)-3-methylpiperazine-2,6-dione
CID 66061183
4-(4-amino-3-methylbenzoyl)-3-methylpiperazine-2,6-dione
CID 66061873
4-(2-amino-3-fluoropyridine-4-carbonyl)-3-methylpiperazine-2,6-dione
CID 105386764

Frequently Asked Questions

What is the IUPAC name of 4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione?
The IUPAC name of 4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione (CID 66076434) is 4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione.
What is the SMILES notation for 4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione?
The canonical SMILES for 4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione is CC(C)c1ncc(N)c(C(=O)N2CC(=O)NC(=O)C2C)n1.
What is the InChIKey of 4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione?
The InChIKey is YPGYULGTUALIGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O3/c1-6(2)11-15-4-8(14)10(17-11)13(21)18-5-9(19)16-12(20)7(18)3/h4,6-7H,5,14H2,1-3H3,(H,16,19,20).
What are the key properties of 4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione?
4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione has a molecular weight of 291.31 g/mol, XLogP of -0.33, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-amino-2-propan-2-ylpyrimidine-4-carbonyl)-3-methylpiperazine-2,6-dione is sourced from PubChem (CID 66076434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).