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

C16H19BrN4O2 — CID 11291901

IUPAC6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione
SMILESN[C@@H]1CCCN(c2cc(=O)[nH]c(=O)n2Cc2ccccc2Br)C1
InChIInChI=1S/C16H19BrN4O2/c17-13-6-2-1-4-11(13)9-21-15(8-14(22)19-16(21)23)20-7-3-5-12(18)10-20/h1-2,4,6,8,12H,3,5,7,9-10,18H2,(H,19,22,23)/t12-/m1/s1
InChIKeyRTNHKNRRDBDENT-GFCCVEGCSA-N
MW379.26 g/mol
LogP1.27
Rot. Bonds3

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

6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione (PubChem CID 11291901) has the molecular formula C16H19BrN4O2 and a molecular weight of 379.26 g/mol. Its IUPAC name is 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione
PubChem CID11291901
Molecular FormulaC16H19BrN4O2
Molecular Weight379.26 g/mol
Exact Mass378.07
IUPAC Name6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione
SMILESN[C@@H]1CCCN(c2cc(=O)[nH]c(=O)n2Cc2ccccc2Br)C1
InChIInChI=1S/C16H19BrN4O2/c17-13-6-2-1-4-11(13)9-21-15(8-14(22)19-16(21)23)20-7-3-5-12(18)10-20/h1-2,4,6,8,12H,3,5,7,9-10,18H2,(H,19,22,23)/t12-/m1/s1
InChIKeyRTNHKNRRDBDENT-GFCCVEGCSA-N
XLogP1.27
TPSA84.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.26
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione?
The IUPAC name of 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione (CID 11291901) is 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione.
What is the SMILES notation for 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione?
The canonical SMILES for 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione is N[C@@H]1CCCN(c2cc(=O)[nH]c(=O)n2Cc2ccccc2Br)C1.
What is the InChIKey of 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione?
The InChIKey is RTNHKNRRDBDENT-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19BrN4O2/c17-13-6-2-1-4-11(13)9-21-15(8-14(22)19-16(21)23)20-7-3-5-12(18)10-20/h1-2,4,6,8,12H,3,5,7,9-10,18H2,(H,19,22,23)/t12-/m1/s1.
What are the key properties of 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione?
6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione has a molecular weight of 379.26 g/mol, XLogP of 1.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-aminopiperidin-1-yl]-1-[(2-bromophenyl)methyl]pyrimidine-2,4-dione is sourced from PubChem (CID 11291901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).