2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one

C10H15BrN4O — CID 141111981

IUPAC2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC[C@@H](N)C2)[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN4O/c1-6-8(11)9(16)14-10(13-6)15-4-2-3-7(12)5-15/h7H,2-5,12H2,1H3,(H,13,14,16)/t7-/m1/s1
InChIKeyMTZDFKDVLJWKEA-SSDOTTSWSA-N
MW287.16 g/mol
LogP0.77
Rot. Bonds1

About 2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one

2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one (PubChem CID 141111981) has the molecular formula C10H15BrN4O and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one
PubChem CID141111981
Molecular FormulaC10H15BrN4O
Molecular Weight287.16 g/mol
Exact Mass286.04
IUPAC Name2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one
SMILESCc1nc(N2CCC[C@@H](N)C2)[nH]c(=O)c1Br
InChIInChI=1S/C10H15BrN4O/c1-6-8(11)9(16)14-10(13-6)15-4-2-3-7(12)5-15/h7H,2-5,12H2,1H3,(H,13,14,16)/t7-/m1/s1
InChIKeyMTZDFKDVLJWKEA-SSDOTTSWSA-N
XLogP0.77
TPSA75.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(3R)-3-aminopiperidin-1-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136882938
2-(3-aminopiperidin-1-yl)-5-bromo-4-tert-butyl-1H-pyrimidin-6-one
CID 141111979
5-Bromo-6-methyl-3-(piperidin-2-ylmethyl)pyrimidin-4-one
CID 66308746
2-[(3S)-3-aminopiperidin-1-yl]-3,5,6-trimethylpyrimidin-4-one
CID 97619970
2-[(3R)-3-aminopiperidin-1-yl]-3,5,6-trimethylpyrimidin-4-one
CID 97619971
2-(3-Aminopiperidin-1-yl)-3,5,6-trimethylpyrimidin-4(3H)-one
CID 102549305
5-Bromo-2-cyclohexylamino-6-methyl-4(3h)-pyrimidinone
CID 135483274
4-(methylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 135978186
2-piperidin-1-yl-4-[(propan-2-ylamino)methyl]-1H-pyrimidin-6-one
CID 136095371
4-(ethylaminomethyl)-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136095624
2-piperidin-1-yl-4-(propylaminomethyl)-1H-pyrimidin-6-one
CID 136095845
4-amino-5-bromo-2-piperidin-1-yl-1H-pyrimidin-6-one
CID 136159812

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one?
The IUPAC name of 2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one (CID 141111981) is 2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one.
What is the SMILES notation for 2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one?
The canonical SMILES for 2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one is Cc1nc(N2CCC[C@@H](N)C2)[nH]c(=O)c1Br.
What is the InChIKey of 2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one?
The InChIKey is MTZDFKDVLJWKEA-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H15BrN4O/c1-6-8(11)9(16)14-10(13-6)15-4-2-3-7(12)5-15/h7H,2-5,12H2,1H3,(H,13,14,16)/t7-/m1/s1.
What are the key properties of 2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one?
2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one has a molecular weight of 287.16 g/mol, XLogP of 0.77, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-aminopiperidin-1-yl]-5-bromo-4-methyl-1H-pyrimidin-6-one is sourced from PubChem (CID 141111981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).