4-hydroxy-2-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one

C18H26N6O2 — CID 72936518

IUPAC4-hydroxy-2-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one
SMILESCCCc1cncnc1N1CCC(NCCc2nc(O)cc(=O)[nH]2)CC1
InChIInChI=1S/C18H26N6O2/c1-2-3-13-11-19-12-21-18(13)24-8-5-14(6-9-24)20-7-4-15-22-16(25)10-17(26)23-15/h10-12,14,20H,2-9H2,1H3,(H2,22,23,25,26)
InChIKeyWUUQTHBMKPZCHA-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.02
Rot. Bonds7

About 4-hydroxy-2-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one

4-hydroxy-2-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one (PubChem CID 72936518) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 4-hydroxy-2-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-hydroxy-2-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one
PubChem CID72936518
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name4-hydroxy-2-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one
SMILESCCCc1cncnc1N1CCC(NCCc2nc(O)cc(=O)[nH]2)CC1
InChIInChI=1S/C18H26N6O2/c1-2-3-13-11-19-12-21-18(13)24-8-5-14(6-9-24)20-7-4-15-22-16(25)10-17(26)23-15/h10-12,14,20H,2-9H2,1H3,(H2,22,23,25,26)
InChIKeyWUUQTHBMKPZCHA-UHFFFAOYSA-N
XLogP1.02
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one?
The IUPAC name of 4-hydroxy-2-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one (CID 72936518) is 4-hydroxy-2-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one.
What is the SMILES notation for 4-hydroxy-2-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one?
The canonical SMILES for 4-hydroxy-2-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one is CCCc1cncnc1N1CCC(NCCc2nc(O)cc(=O)[nH]2)CC1.
What is the InChIKey of 4-hydroxy-2-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one?
The InChIKey is WUUQTHBMKPZCHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-2-3-13-11-19-12-21-18(13)24-8-5-14(6-9-24)20-7-4-15-22-16(25)10-17(26)23-15/h10-12,14,20H,2-9H2,1H3,(H2,22,23,25,26).
What are the key properties of 4-hydroxy-2-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one?
4-hydroxy-2-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one has a molecular weight of 358.45 g/mol, XLogP of 1.02, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-2-[2-[[1-(5-propylpyrimidin-4-yl)piperidin-4-yl]amino]ethyl]-1H-pyrimidin-6-one is sourced from PubChem (CID 72936518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).