6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

C20H28N6O5 — CID 56525193

IUPAC6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCc1cc(C(=O)N2CCN(CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)CC2)on1
InChIInChI=1S/C20H28N6O5/c1-12(2)10-26-17(21)16(19(29)23(4)20(26)30)14(27)11-24-5-7-25(8-6-24)18(28)15-9-13(3)22-31-15/h9,12H,5-8,10-11,21H2,1-4H3
InChIKeySEHVOHFGBILMSM-UHFFFAOYSA-N
MW432.48 g/mol
LogP-0.28
Rot. Bonds6

About 6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione

6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (PubChem CID 56525193) has the molecular formula C20H28N6O5 and a molecular weight of 432.48 g/mol. Its IUPAC name is 6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
PubChem CID56525193
Molecular FormulaC20H28N6O5
Molecular Weight432.48 g/mol
Exact Mass432.21
IUPAC Name6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione
SMILESCc1cc(C(=O)N2CCN(CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)CC2)on1
InChIInChI=1S/C20H28N6O5/c1-12(2)10-26-17(21)16(19(29)23(4)20(26)30)14(27)11-24-5-7-25(8-6-24)18(28)15-9-13(3)22-31-15/h9,12H,5-8,10-11,21H2,1-4H3
InChIKeySEHVOHFGBILMSM-UHFFFAOYSA-N
XLogP-0.28
TPSA136.67 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.48
LogP ≤ 5-0.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6-amino-5-[2-[4-(2,3-dimethylphenyl)piperazin-1-yl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 4795663
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-[4-(pyridin-2-ylmethyl)piperazin-1-yl]acetyl]pyrimidine-2,4-dione
CID 55470235
6-amino-1-benzyl-5-[2-[4-(furan-2-carbonyl)piperazin-1-yl]acetyl]-3-methylpyrimidine-2,4-dione
CID 4316106
(3-methyl-1,2-oxazol-5-yl)-(4-methylpiperazin-1-yl)methanone
CID 20868333
6-amino-5-[2-[4-(2-hydroxyacetyl)piperazin-1-yl]acetyl]-1,3-dimethylpyrimidine-2,4-dione
CID 75391776
6-amino-3-methyl-1-(2-methylpropyl)-5-[2-(5-phenyltetrazol-2-yl)acetyl]pyrimidine-2,4-dione
CID 78788514
(3-methyl-1,2-oxazol-5-yl)-[4-[1-(2-methylpropyl)pyrazole-4-carbonyl]piperazin-1-yl]methanone
CID 75501560
5-[2-(3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl)acetyl]-6-amino-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 112796880
2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-N-(2-propan-2-ylphenyl)acetamide
CID 78900724
2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]-1-(4-methylpiperidin-1-yl)ethanone
CID 87017637
6-amino-5-[2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]acetyl]-3-methyl-1-(2-methylpropyl)pyrimidine-2,4-dione
CID 2569373
6-amino-5-[2-(azocan-1-yl)acetyl]-3-methyl-1-propylpyrimidine-2,4-dione
CID 2682315

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione (CID 56525193) is 6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is Cc1cc(C(=O)N2CCN(CC(=O)c3c(N)n(CC(C)C)c(=O)n(C)c3=O)CC2)on1.
What is the InChIKey of 6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
The InChIKey is SEHVOHFGBILMSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O5/c1-12(2)10-26-17(21)16(19(29)23(4)20(26)30)14(27)11-24-5-7-25(8-6-24)18(28)15-9-13(3)22-31-15/h9,12H,5-8,10-11,21H2,1-4H3.
What are the key properties of 6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione?
6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione has a molecular weight of 432.48 g/mol, XLogP of -0.28, 6 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-methyl-5-[2-[4-(3-methyl-1,2-oxazole-5-carbonyl)piperazin-1-yl]acetyl]-1-(2-methylpropyl)pyrimidine-2,4-dione is sourced from PubChem (CID 56525193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).