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

C10H16N4O2 — CID 136702381

IUPAC5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H16N4O2/c1-16-7-3-2-4-14(5-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5,11H2,1H3,(H,12,13,15)
InChIKeyUAHHBQANLMODAO-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.03
Rot. Bonds2

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

5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one (PubChem CID 136702381) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is 5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
PubChem CID136702381
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Name5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
SMILESCOC1CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C10H16N4O2/c1-16-7-3-2-4-14(5-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5,11H2,1H3,(H,12,13,15)
InChIKeyUAHHBQANLMODAO-UHFFFAOYSA-N
XLogP-0.03
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 ≤ 5-0.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954541
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-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241696
5-amino-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939642
5-amino-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586404
5-amino-4-[bis(2-methoxyethyl)amino]-1H-pyrimidin-6-one
CID 135568296
5-amino-4-(3-morpholin-4-ylpropylamino)-1H-pyrimidin-6-one
CID 135568309
5-amino-4-(2-morpholin-4-ylethylamino)-1H-pyrimidin-6-one
CID 135575724
5-amino-4-morpholin-4-yl-1H-pyrimidin-6-one
CID 135786490
5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702376
5-methoxy-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702383

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one (CID 136702381) is 5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one is COC1CCCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
The InChIKey is UAHHBQANLMODAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-16-7-3-2-4-14(5-7)9-8(11)10(15)13-6-12-9/h6-7H,2-5,11H2,1H3,(H,12,13,15).
What are the key properties of 5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one?
5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one has a molecular weight of 224.26 g/mol, XLogP of -0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(3-methoxypiperidin-1-yl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136702381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).