2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one

C11H17N3O2 — CID 103241483

IUPAC2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
SMILESCc1nc(OC2CCN(C)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-12-10(15)7-11(13-8)16-9-3-5-14(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyPSBFZYAHVWXVHQ-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.55
Rot. Bonds2

About 2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one

2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one (PubChem CID 103241483) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
PubChem CID103241483
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
SMILESCc1nc(OC2CCN(C)CC2)cc(=O)[nH]1
InChIInChI=1S/C11H17N3O2/c1-8-12-10(15)7-11(13-8)16-9-3-5-14(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,12,13,15)
InChIKeyPSBFZYAHVWXVHQ-UHFFFAOYSA-N
XLogP0.55
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-4-(4-methylpiperidin-3-yl)oxy-1H-pyrimidin-6-one
CID 102954539
2-methyl-4-(2-piperidin-1-ylethoxy)-1H-pyrimidin-6-one
CID 103241391
4-(2-piperidin-1-ylethoxy)-2-propan-2-yl-1H-pyrimidin-6-one
CID 103241398
4-[3-(dimethylamino)propoxy]-2-methyl-1H-pyrimidin-6-one
CID 103241441
4-[3-(dimethylamino)propoxy]-2-ethyl-1H-pyrimidin-6-one
CID 103241443
2-cyclopropyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241479
2-ethyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241485
4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one
CID 103241487
2-ethyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939638
4-[(3S)-piperidin-3-yl]oxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 104939639
2-methyl-4-[(3S)-piperidin-3-yl]oxy-1H-pyrimidin-6-one
CID 104939643
4-piperidin-4-yloxy-2-propan-2-yl-1H-pyrimidin-6-one
CID 113604861

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
The IUPAC name of 2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one (CID 103241483) is 2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one.
What is the SMILES notation for 2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
The canonical SMILES for 2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one is Cc1nc(OC2CCN(C)CC2)cc(=O)[nH]1.
What is the InChIKey of 2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
The InChIKey is PSBFZYAHVWXVHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-8-12-10(15)7-11(13-8)16-9-3-5-14(2)6-4-9/h7,9H,3-6H2,1-2H3,(H,12,13,15).
What are the key properties of 2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one?
2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one has a molecular weight of 223.28 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-(1-methylpiperidin-4-yl)oxy-1H-pyrimidin-6-one is sourced from PubChem (CID 103241483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).