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

C10H16N4O2 — CID 136873259

IUPAC4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC[C@@H](N)C2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-16-8-9(12-6-13-10(8)15)14-4-2-3-7(11)5-14/h6-7H,2-5,11H2,1H3,(H,12,13,15)/t7-/m1/s1
InChIKeyKCOWXEZBAFQJLW-SSDOTTSWSA-N
MW224.26 g/mol
LogP-0.29
Rot. Bonds2

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

4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (PubChem CID 136873259) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
PubChem CID136873259
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one
SMILESCOc1c(N2CCC[C@@H](N)C2)nc[nH]c1=O
InChIInChI=1S/C10H16N4O2/c1-16-8-9(12-6-13-10(8)15)14-4-2-3-7(11)5-14/h6-7H,2-5,11H2,1H3,(H,12,13,15)/t7-/m1/s1
InChIKeyKCOWXEZBAFQJLW-SSDOTTSWSA-N
XLogP-0.29
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The IUPAC name of 4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one (CID 136873259) is 4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The canonical SMILES for 4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is COc1c(N2CCC[C@@H](N)C2)nc[nH]c1=O.
What is the InChIKey of 4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
The InChIKey is KCOWXEZBAFQJLW-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-16-8-9(12-6-13-10(8)15)14-4-2-3-7(11)5-14/h6-7H,2-5,11H2,1H3,(H,12,13,15)/t7-/m1/s1.
What are the key properties of 4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one?
4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.29, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-aminopiperidin-1-yl]-5-methoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 136873259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).