5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

C11H18N4O2 — CID 136821997

IUPAC5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCC1CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C11H18N4O2/c1-17-6-8-3-2-4-15(5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyOPXYBFQBVBXXNC-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.21
Rot. Bonds3

About 5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one

5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (PubChem CID 136821997) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is 5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
PubChem CID136821997
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Name5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
SMILESCOCC1CCCN(c2nc[nH]c(=O)c2N)C1
InChIInChI=1S/C11H18N4O2/c1-17-6-8-3-2-4-15(5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6,12H2,1H3,(H,13,14,16)
InChIKeyOPXYBFQBVBXXNC-UHFFFAOYSA-N
XLogP0.21
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 ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
CID 114586413
5-amino-4-(3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568286
5-amino-4-(4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 135568288
ethyl 1-(5-amino-6-oxo-1H-pyrimidin-4-yl)piperidine-3-carboxylate
CID 135568298
5-amino-4-(3-methoxy-4-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136702376
5-amino-4-(3-methoxy-3-methylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136716212
5-amino-4-(4-propan-2-ylpiperidin-1-yl)-1H-pyrimidin-6-one
CID 136731876
5-amino-4-(5-methoxypentylamino)-1H-pyrimidin-6-one
CID 136786671
5-amino-4-[piperidin-3-ylmethyl(propyl)amino]-1H-pyrimidin-6-one
CID 136805365
5-bromo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821994
5-iodo-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821995
5-chloro-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821996

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one (CID 136821997) is 5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is COCC1CCCN(c2nc[nH]c(=O)c2N)C1.
What is the InChIKey of 5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
The InChIKey is OPXYBFQBVBXXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-17-6-8-3-2-4-15(5-8)10-9(12)11(16)14-7-13-10/h7-8H,2-6,12H2,1H3,(H,13,14,16).
What are the key properties of 5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one?
5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one has a molecular weight of 238.29 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-[3-(methoxymethyl)piperidin-1-yl]-1H-pyrimidin-6-one is sourced from PubChem (CID 136821997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).