5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one

C20H22N6O2 — CID 162705890

IUPAC5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one
SMILESCN(c1ccc(-c2ncc(-c3cnc(=O)[nH]c3)cn2)c(O)c1)C1CCNCC1
InChIInChI=1S/C20H22N6O2/c1-26(15-4-6-21-7-5-15)16-2-3-17(18(27)8-16)19-22-9-13(10-23-19)14-11-24-20(28)25-12-14/h2-3,8-12,15,21,27H,4-7H2,1H3,(H,24,25,28)
InChIKeyQJTZIHWVVKXVLJ-UHFFFAOYSA-N
MW378.44 g/mol
LogP1.79
Rot. Bonds4

About 5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one

5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one (PubChem CID 162705890) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is 5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one
PubChem CID162705890
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC Name5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one
SMILESCN(c1ccc(-c2ncc(-c3cnc(=O)[nH]c3)cn2)c(O)c1)C1CCNCC1
InChIInChI=1S/C20H22N6O2/c1-26(15-4-6-21-7-5-15)16-2-3-17(18(27)8-16)19-22-9-13(10-23-19)14-11-24-20(28)25-12-14/h2-3,8-12,15,21,27H,4-7H2,1H3,(H,24,25,28)
InChIKeyQJTZIHWVVKXVLJ-UHFFFAOYSA-N
XLogP1.79
TPSA107.03 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one?
The IUPAC name of 5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one (CID 162705890) is 5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one is CN(c1ccc(-c2ncc(-c3cnc(=O)[nH]c3)cn2)c(O)c1)C1CCNCC1.
What is the InChIKey of 5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one?
The InChIKey is QJTZIHWVVKXVLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-26(15-4-6-21-7-5-15)16-2-3-17(18(27)8-16)19-22-9-13(10-23-19)14-11-24-20(28)25-12-14/h2-3,8-12,15,21,27H,4-7H2,1H3,(H,24,25,28).
What are the key properties of 5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one?
5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one has a molecular weight of 378.44 g/mol, XLogP of 1.79, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-hydroxy-4-[methyl(piperidin-4-yl)amino]phenyl]pyrimidin-5-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 162705890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).