6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]-3-methylpyrimidine-2,4-dione

C17H21BrN4O2 — CID 11234761

IUPAC6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2Br)c1=O
InChIInChI=1S/C17H21BrN4O2/c1-20-16(23)9-15(21-8-4-6-13(19)11-21)22(17(20)24)10-12-5-2-3-7-14(12)18/h2-3,5,7,9,13H,4,6,8,10-11,19H2,1H3/t13-/m1/s1
InChIKeyZOZBXLMDTJHPKM-CYBMUJFWSA-N
MW393.29 g/mol
LogP1.29
Rot. Bonds3

About 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]-3-methylpyrimidine-2,4-dione

6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]-3-methylpyrimidine-2,4-dione (PubChem CID 11234761) has the molecular formula C17H21BrN4O2 and a molecular weight of 393.29 g/mol. Its IUPAC name is 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]-3-methylpyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]-3-methylpyrimidine-2,4-dione
PubChem CID11234761
Molecular FormulaC17H21BrN4O2
Molecular Weight393.29 g/mol
Exact Mass392.08
IUPAC Name6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]-3-methylpyrimidine-2,4-dione
SMILESCn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2Br)c1=O
InChIInChI=1S/C17H21BrN4O2/c1-20-16(23)9-15(21-8-4-6-13(19)11-21)22(17(20)24)10-12-5-2-3-7-14(12)18/h2-3,5,7,9,13H,4,6,8,10-11,19H2,1H3/t13-/m1/s1
InChIKeyZOZBXLMDTJHPKM-CYBMUJFWSA-N
XLogP1.29
TPSA73.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]-3-methylpyrimidine-2,4-dione?
The IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]-3-methylpyrimidine-2,4-dione (CID 11234761) is 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]-3-methylpyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]-3-methylpyrimidine-2,4-dione?
The canonical SMILES for 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]-3-methylpyrimidine-2,4-dione is Cn1c(=O)cc(N2CCC[C@@H](N)C2)n(Cc2ccccc2Br)c1=O.
What is the InChIKey of 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]-3-methylpyrimidine-2,4-dione?
The InChIKey is ZOZBXLMDTJHPKM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21BrN4O2/c1-20-16(23)9-15(21-8-4-6-13(19)11-21)22(17(20)24)10-12-5-2-3-7-14(12)18/h2-3,5,7,9,13H,4,6,8,10-11,19H2,1H3/t13-/m1/s1.
What are the key properties of 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]-3-methylpyrimidine-2,4-dione?
6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]-3-methylpyrimidine-2,4-dione has a molecular weight of 393.29 g/mol, XLogP of 1.29, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]-3-methylpyrimidine-2,4-dione is sourced from PubChem (CID 11234761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).