6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one

C19H25FN4O3 — CID 67147406

IUPAC6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one
SMILESCCOc1cc(CN2CCC(Nc3cc(OC)nc(=O)[nH]3)CC2)ccc1F
InChIInChI=1S/C19H25FN4O3/c1-3-27-16-10-13(4-5-15(16)20)12-24-8-6-14(7-9-24)21-17-11-18(26-2)23-19(25)22-17/h4-5,10-11,14H,3,6-9,12H2,1-2H3,(H2,21,22,23,25)
InChIKeyFIFUSTSYWDDCBI-UHFFFAOYSA-N
MW376.43 g/mol
LogP2.39
Rot. Bonds7

About 6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one

6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one (PubChem CID 67147406) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is 6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one
PubChem CID67147406
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one
SMILESCCOc1cc(CN2CCC(Nc3cc(OC)nc(=O)[nH]3)CC2)ccc1F
InChIInChI=1S/C19H25FN4O3/c1-3-27-16-10-13(4-5-15(16)20)12-24-8-6-14(7-9-24)21-17-11-18(26-2)23-19(25)22-17/h4-5,10-11,14H,3,6-9,12H2,1-2H3,(H2,21,22,23,25)
InChIKeyFIFUSTSYWDDCBI-UHFFFAOYSA-N
XLogP2.39
TPSA79.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one?
The IUPAC name of 6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one (CID 67147406) is 6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one?
The canonical SMILES for 6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one is CCOc1cc(CN2CCC(Nc3cc(OC)nc(=O)[nH]3)CC2)ccc1F.
What is the InChIKey of 6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one?
The InChIKey is FIFUSTSYWDDCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-3-27-16-10-13(4-5-15(16)20)12-24-8-6-14(7-9-24)21-17-11-18(26-2)23-19(25)22-17/h4-5,10-11,14H,3,6-9,12H2,1-2H3,(H2,21,22,23,25).
What are the key properties of 6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one?
6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one has a molecular weight of 376.43 g/mol, XLogP of 2.39, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[1-[(3-ethoxy-4-fluorophenyl)methyl]piperidin-4-yl]amino]-4-methoxy-1H-pyrimidin-2-one is sourced from PubChem (CID 67147406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).