4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one

C11H17N3O2 — CID 105480522

IUPAC4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(CC2CCCCN2)n1
InChIInChI=1S/C11H17N3O2/c1-16-11-7-10(15)13-9(14-11)6-8-4-2-3-5-12-8/h7-8,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyBHHOBIYXKCGVLC-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.46
Rot. Bonds3

About 4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one

4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one (PubChem CID 105480522) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
PubChem CID105480522
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
SMILESCOc1cc(=O)[nH]c(CC2CCCCN2)n1
InChIInChI=1S/C11H17N3O2/c1-16-11-7-10(15)13-9(14-11)6-8-4-2-3-5-12-8/h7-8,12H,2-6H2,1H3,(H,13,14,15)
InChIKeyBHHOBIYXKCGVLC-UHFFFAOYSA-N
XLogP0.46
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-hydroxy-2-piperidin-2-yl-1H-pyrimidin-6-one
CID 63554278
2-ethyl-4-[(1-methylpiperidin-2-yl)methoxy]-1H-pyrimidin-6-one
CID 103241700
2-(2-aminopropyl)-4-methoxy-1H-pyrimidin-6-one
CID 105440513
4-methoxy-2-(pyrrolidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 105462842
4-hydroxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 105462845
4-methoxy-2-piperidin-4-yl-1H-pyrimidin-6-one
CID 105462846
4-methoxy-2-piperidin-3-yl-1H-pyrimidin-6-one
CID 105462848
4-methoxy-2-(piperidin-4-ylmethyl)-1H-pyrimidin-6-one
CID 105480518
4-methoxy-2-(piperidin-3-ylmethyl)-1H-pyrimidin-6-one
CID 105480520
4-hydroxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 105480521
4-methoxy-5-methyl-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one
CID 105499127
2-ethyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 113604865

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one (CID 105480522) is 4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one is COc1cc(=O)[nH]c(CC2CCCCN2)n1.
What is the InChIKey of 4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
The InChIKey is BHHOBIYXKCGVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-16-11-7-10(15)13-9(14-11)6-8-4-2-3-5-12-8/h7-8,12H,2-6H2,1H3,(H,13,14,15).
What are the key properties of 4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one?
4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.46, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-2-(piperidin-2-ylmethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 105480522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).