5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one

C11H18N4O2 — CID 103241696

IUPAC5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCN1CCCCC1COc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H18N4O2/c1-15-5-3-2-4-8(15)6-17-11-9(12)10(16)13-7-14-11/h7-8H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyPNYQUDFHRZHBRL-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.22
Rot. Bonds3

About 5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one

5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one (PubChem CID 103241696) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
PubChem CID103241696
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
SMILESCN1CCCCC1COc1nc[nH]c(=O)c1N
InChIInChI=1S/C11H18N4O2/c1-15-5-3-2-4-8(15)6-17-11-9(12)10(16)13-7-14-11/h7-8H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyPNYQUDFHRZHBRL-UHFFFAOYSA-N
XLogP0.22
TPSA84.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-[2-(methylamino)cyclohexyl]oxy-1H-pyrimidin-6-one
CID 102634382
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-methoxy-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241699
4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241701
5-amino-4-[2-[di(propan-2-yl)amino]ethoxy]-1H-pyrimidin-6-one
CID 103241873
5-amino-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939642
5-chloro-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 113616100
5-amino-4-[2-(1-methylpyrrolidin-2-yl)ethoxy]-1H-pyrimidin-6-one
CID 113792727
5-amino-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 114586378
5-amino-4-piperidin-3-yloxy-1H-pyrimidin-6-one
CID 114586404
4-(piperidin-2-ylmethoxy)-1H-pyrimidin-6-one
CID 114586417

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one (CID 103241696) is 5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one is CN1CCCCC1COc1nc[nH]c(=O)c1N.
What is the InChIKey of 5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is PNYQUDFHRZHBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-15-5-3-2-4-8(15)6-17-11-9(12)10(16)13-7-14-11/h7-8H,2-6,12H2,1H3,(H,13,14,16).
What are the key properties of 5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one?
5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 103241696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).