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4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one

C15H17N5O4 — CID 154583725

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCOc1cnc(OC2CCN(C(=O)c3cc(=O)[nH]cn3)CC2)nc1
InChIInChI=1S/C15H17N5O4/c1-23-11-7-16-15(17-8-11)24-10-2-4-20(5-3-10)14(22)12-6-13(21)19-9-18-12/h6-10H,2-5H2,1H3,(H,18,19,21)
InChIKeyNTUSGUCWGKCTQT-UHFFFAOYSA-N
MW331.33 g/mol
LogP0.25
Rot. Bonds4

About 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one

4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one (PubChem CID 154583725) has the molecular formula C15H17N5O4 and a molecular weight of 331.33 g/mol. Its IUPAC name is 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one
PubChem CID154583725
Molecular FormulaC15H17N5O4
Molecular Weight331.33 g/mol
Exact Mass331.13
IUPAC Name4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one
SMILESCOc1cnc(OC2CCN(C(=O)c3cc(=O)[nH]cn3)CC2)nc1
InChIInChI=1S/C15H17N5O4/c1-23-11-7-16-15(17-8-11)24-10-2-4-20(5-3-10)14(22)12-6-13(21)19-9-18-12/h6-10H,2-5H2,1H3,(H,18,19,21)
InChIKeyNTUSGUCWGKCTQT-UHFFFAOYSA-N
XLogP0.25
TPSA110.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.33
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one (CID 154583725) is 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one is COc1cnc(OC2CCN(C(=O)c3cc(=O)[nH]cn3)CC2)nc1.
What is the InChIKey of 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one?
The InChIKey is NTUSGUCWGKCTQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4/c1-23-11-7-16-15(17-8-11)24-10-2-4-20(5-3-10)14(22)12-6-13(21)19-9-18-12/h6-10H,2-5H2,1H3,(H,18,19,21).
What are the key properties of 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one?
4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one has a molecular weight of 331.33 g/mol, XLogP of 0.25, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(5-methoxypyrimidin-2-yl)oxypiperidine-1-carbonyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 154583725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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