2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one

C11H17N3O2 — CID 114586414

IUPAC2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
SMILESCc1nc(OCC2CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-13-10(15)5-11(14-8)16-7-9-3-2-4-12-6-9/h5,9,12H,2-4,6-7H2,1H3,(H,13,14,15)
InChIKeySVLZBIQQPIRZFQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.46
Rot. Bonds3

About 2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one

2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one (PubChem CID 114586414) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
PubChem CID114586414
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one
SMILESCc1nc(OCC2CCCNC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-13-10(15)5-11(14-8)16-7-9-3-2-4-12-6-9/h5,9,12H,2-4,6-7H2,1H3,(H,13,14,15)
InChIKeySVLZBIQQPIRZFQ-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-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 102930437
2-methyl-4-(1-oxa-8-azaspiro[4.5]decan-3-yloxy)-1H-pyrimidin-6-one
CID 102930501
2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
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-piperidin-4-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604861
4-(piperidin-4-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604864
2-methyl-4-(2-piperidin-2-ylethoxy)-1H-pyrimidin-6-one
CID 113604867
4-(piperidin-3-ylmethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604871
2-ethyl-4-(2-piperidin-3-ylethoxy)-1H-pyrimidin-6-one
CID 113604874

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one (CID 114586414) is 2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one is Cc1nc(OCC2CCCNC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one?
The InChIKey is SVLZBIQQPIRZFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-13-10(15)5-11(14-8)16-7-9-3-2-4-12-6-9/h5,9,12H,2-4,6-7H2,1H3,(H,13,14,15).
What are the key properties of 2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one?
2-methyl-4-(piperidin-3-ylmethoxy)-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 2-methyl-4-(piperidin-3-ylmethoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 114586414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).