5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one

C10H16N4O2 — CID 102954541

IUPAC5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
SMILESCC1CCNCC1Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O2/c1-6-2-3-12-4-7(6)16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4,11H2,1H3,(H,13,14,15)
InChIKeyAYGGYLAMXICXRM-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.27
Rot. Bonds2

About 5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one

5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one (PubChem CID 102954541) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
PubChem CID102954541
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
SMILESCC1CCNCC1Oc1nc[nH]c(=O)c1N
InChIInChI=1S/C10H16N4O2/c1-6-2-3-12-4-7(6)16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4,11H2,1H3,(H,13,14,15)
InChIKeyAYGGYLAMXICXRM-UHFFFAOYSA-N
XLogP-0.27
TPSA93.03 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-iodo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954540
4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954690
5-bromo-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954732
5-chloro-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954771
5-amino-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241385
5-amino-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241477
5-amino-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939642
5-methoxy-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 113756936
5-amino-4-piperidin-4-yloxy-1H-pyrimidin-6-one
CID 114586284
5-methoxy-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586348
5-amino-4-(piperidin-4-ylmethoxy)-1H-pyrimidin-6-one
CID 114586350
5-amino-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586404

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one (CID 102954541) is 5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one is CC1CCNCC1Oc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
The InChIKey is AYGGYLAMXICXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-6-2-3-12-4-7(6)16-10-8(11)9(15)13-5-14-10/h5-7,12H,2-4,11H2,1H3,(H,13,14,15).
What are the key properties of 5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one?
5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.27, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 102954541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).